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[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001067080362 837449446 /nfs/dbraw/zinc/44/94/46/837449446.db2.gz NMPQRWUSJVGKCN-PMPSAXMXSA-N 1 1 353.463 0.215 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001067080362 837449453 /nfs/dbraw/zinc/44/94/53/837449453.db2.gz NMPQRWUSJVGKCN-PMPSAXMXSA-N 1 1 353.463 0.215 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001067293005 837452993 /nfs/dbraw/zinc/45/29/93/837452993.db2.gz FYJVHXWMZHLDTH-IIDMSEBBSA-N 1 1 355.479 0.340 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001067293005 837453002 /nfs/dbraw/zinc/45/30/02/837453002.db2.gz FYJVHXWMZHLDTH-IIDMSEBBSA-N 1 1 355.479 0.340 20 30 FCEDMO C=C(Cl)CN1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864427 837540068 /nfs/dbraw/zinc/54/00/68/837540068.db2.gz OZEZAMQAXDXOBL-CZUORRHYSA-N 1 1 367.881 0.787 20 30 FCEDMO C=C(Cl)CN1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864427 837540078 /nfs/dbraw/zinc/54/00/78/837540078.db2.gz OZEZAMQAXDXOBL-CZUORRHYSA-N 1 1 367.881 0.787 20 30 FCEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069973163 837582644 /nfs/dbraw/zinc/58/26/44/837582644.db2.gz OWEUHTZVAZTPLE-ZNMIVQPWSA-N 1 1 367.475 0.021 20 30 FCEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069973163 837582652 /nfs/dbraw/zinc/58/26/52/837582652.db2.gz OWEUHTZVAZTPLE-ZNMIVQPWSA-N 1 1 367.475 0.021 20 30 FCEDMO COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)sn1 ZINC001070159734 837628824 /nfs/dbraw/zinc/62/88/24/837628824.db2.gz PJQUAXKEZRPAJT-UHTWSYAYSA-N 1 1 361.431 0.445 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@@H]1n1ccnn1 ZINC001070217893 837635724 /nfs/dbraw/zinc/63/57/24/837635724.db2.gz XISQZAHGLRYODR-WWGRRREGSA-N 1 1 366.853 0.288 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@@H]1n1ccnn1 ZINC001070179892 837630646 /nfs/dbraw/zinc/63/06/46/837630646.db2.gz NYBLCBWVNAEVIX-XQQFMLRXSA-N 1 1 350.814 0.225 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1n1ccnn1 ZINC001070190980 837632350 /nfs/dbraw/zinc/63/23/50/837632350.db2.gz RYBGVACIZZPUMY-YPMHNXCESA-N 1 1 350.814 0.297 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cnc(C)o2)C[C@@H]1n1ccnn1 ZINC001070207632 837634101 /nfs/dbraw/zinc/63/41/01/837634101.db2.gz GRJGMSVZLWSGTH-KGLIPLIRSA-N 1 1 350.810 0.911 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070212738 837634661 /nfs/dbraw/zinc/63/46/61/837634661.db2.gz QDYPAYBTJSRKPF-GBOPCIDUSA-N 1 1 361.837 0.899 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@@H]1n1ccnn1 ZINC001070210437 837634781 /nfs/dbraw/zinc/63/47/81/837634781.db2.gz FGRKCWRBJBNHAH-CABCVRRESA-N 1 1 363.853 0.657 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001070275301 837642608 /nfs/dbraw/zinc/64/26/08/837642608.db2.gz FFGQBALJTTWQNS-RQJABVFESA-N 1 1 366.853 0.096 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2coc(COC)n2)C[C@@H]1n1ccnn1 ZINC001070304357 837644963 /nfs/dbraw/zinc/64/49/63/837644963.db2.gz YCCQVTNFJNZKBW-YPMHNXCESA-N 1 1 366.809 0.820 20 30 FCEDMO C=C(Cl)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070309757 837645662 /nfs/dbraw/zinc/64/56/62/837645662.db2.gz ATRNCEIJWMCQKL-KFWWJZLASA-N 1 1 352.870 0.714 20 30 FCEDMO C=C(Cl)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070309758 837645858 /nfs/dbraw/zinc/64/58/58/837645858.db2.gz ATRNCEIJWMCQKL-ZNMIVQPWSA-N 1 1 352.870 0.714 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1c1cn(C)cn1 ZINC001070485195 837654961 /nfs/dbraw/zinc/65/49/61/837654961.db2.gz TULWITQIKCPXFV-IMJJTQAJSA-N 1 1 367.881 0.387 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070503433 837655976 /nfs/dbraw/zinc/65/59/76/837655976.db2.gz AXJMRHXTHKRWMC-GZBFAFLISA-N 1 1 365.865 0.725 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1c1cn(C)cn1 ZINC001070520758 837656838 /nfs/dbraw/zinc/65/68/38/837656838.db2.gz GVDHUINMQURWHG-MBNYWOFBSA-N 1 1 351.838 0.193 20 30 FCEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cncs2)C1 ZINC001070906618 837691637 /nfs/dbraw/zinc/69/16/37/837691637.db2.gz FBJDUGXJQRBUSE-MJBXVCDLSA-N 1 1 360.439 0.886 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cncs2)C1 ZINC001070906618 837691641 /nfs/dbraw/zinc/69/16/41/837691641.db2.gz FBJDUGXJQRBUSE-MJBXVCDLSA-N 1 1 360.439 0.886 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070911887 837694419 /nfs/dbraw/zinc/69/44/19/837694419.db2.gz NOXHOSJXICUXRY-KFWWJZLASA-N 1 1 351.447 0.829 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070911887 837694424 /nfs/dbraw/zinc/69/44/24/837694424.db2.gz NOXHOSJXICUXRY-KFWWJZLASA-N 1 1 351.447 0.829 20 30 FCEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001070964281 837705881 /nfs/dbraw/zinc/70/58/81/837705881.db2.gz AZCPVKLCXJOWMG-HUUCEWRRSA-N 1 1 350.463 0.128 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)O1 ZINC001071065586 837722546 /nfs/dbraw/zinc/72/25/46/837722546.db2.gz ZVLNSQBYTIPAOA-DZUCGIPZSA-N 1 1 350.463 0.215 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC#N)CC2)O1 ZINC001071065586 837722552 /nfs/dbraw/zinc/72/25/52/837722552.db2.gz ZVLNSQBYTIPAOA-DZUCGIPZSA-N 1 1 350.463 0.215 20 30 FCEDMO C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001073660770 837784154 /nfs/dbraw/zinc/78/41/54/837784154.db2.gz NWCOFAQUDYZLPE-MCIONIFRSA-N 1 1 364.364 0.563 20 30 FCEDMO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001073660771 837784420 /nfs/dbraw/zinc/78/44/20/837784420.db2.gz NWCOFAQUDYZLPE-MJBXVCDLSA-N 1 1 364.364 0.563 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC001099316351 844019511 /nfs/dbraw/zinc/01/95/11/844019511.db2.gz WGGKZYRWWABEKG-QJPTWQEYSA-N 1 1 352.378 0.423 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CC)C[C@]2(C)C1 ZINC001101129016 844070753 /nfs/dbraw/zinc/07/07/53/844070753.db2.gz WQOUNPMIFJTIEW-LBTNJELSSA-N 1 1 350.463 0.825 20 30 FCEDMO CCN(CC)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 ZINC001101135706 844072999 /nfs/dbraw/zinc/07/29/99/844072999.db2.gz VIBXHCITVVDYSG-PBHICJAKSA-N 1 1 352.504 0.892 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)OC)C[C@]2(C)C1 ZINC001101146612 844078627 /nfs/dbraw/zinc/07/86/27/844078627.db2.gz OLINIQNCHBWKRY-RKVPGOIHSA-N 1 1 350.463 0.564 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c(Cl)cnn3C)C[C@]2(C)C1 ZINC001101240926 844115637 /nfs/dbraw/zinc/11/56/37/844115637.db2.gz JHLKYUSISXCAJN-PXAZEXFGSA-N 1 1 363.849 0.217 20 30 FCEDMO Cn1cc(Cl)c(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)n1 ZINC001101248471 844119019 /nfs/dbraw/zinc/11/90/19/844119019.db2.gz DFQPUNVDQRQHBS-BZNIZROVSA-N 1 1 364.837 0.107 20 30 FCEDMO Cn1cc(Cl)c(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)n1 ZINC001101248471 844119023 /nfs/dbraw/zinc/11/90/23/844119023.db2.gz DFQPUNVDQRQHBS-BZNIZROVSA-N 1 1 364.837 0.107 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@]2(C)C1 ZINC001101267749 844126046 /nfs/dbraw/zinc/12/60/46/844126046.db2.gz QYQKYYHNJWMYCP-NUJGCVRESA-N 1 1 370.515 0.937 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3cncs3)C[C@]2(C)C1 ZINC001101273359 844127822 /nfs/dbraw/zinc/12/78/22/844127822.db2.gz FQIMVKHHMBFPGE-IYOUNJFTSA-N 1 1 360.483 0.604 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CS(=O)(=O)CCOC)C[C@]2(C)C1 ZINC001101281987 844133207 /nfs/dbraw/zinc/13/32/07/844133207.db2.gz LWZDRCQPYKWZMW-WBVHZDCISA-N 1 1 358.504 0.794 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@]2(C)C1 ZINC001101294432 844138019 /nfs/dbraw/zinc/13/80/19/844138019.db2.gz JNCJWGZVBUBBTR-ACJLOTCBSA-N 1 1 362.861 0.822 20 30 FCEDMO C[C@H](CC(F)(F)F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101308392 844141054 /nfs/dbraw/zinc/14/10/54/844141054.db2.gz KEDSJIAAXHAVMT-JMSVASOKSA-N 1 1 360.380 0.995 20 30 FCEDMO C[C@H](CC(F)(F)F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101308392 844141059 /nfs/dbraw/zinc/14/10/59/844141059.db2.gz KEDSJIAAXHAVMT-JMSVASOKSA-N 1 1 360.380 0.995 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCC(F)F)C[C@]2(C)C1 ZINC001101312624 844142346 /nfs/dbraw/zinc/14/23/46/844142346.db2.gz CKISKNHMUWAODM-XNJGSVPQSA-N 1 1 359.417 0.739 20 30 FCEDMO C#CCNC(=O)C1CC[NH+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000747820412 836265285 /nfs/dbraw/zinc/26/52/85/836265285.db2.gz UOHVJKZITDHUTO-HNNXBMFYSA-N 1 1 351.447 0.152 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC(F)(F)C(F)F)C[C@]2(C)C1 ZINC001101367006 844162087 /nfs/dbraw/zinc/16/20/87/844162087.db2.gz YNMQEXVDGNTBOK-ABAIWWIYSA-N 1 1 363.355 0.807 20 30 FCEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000751058186 836462793 /nfs/dbraw/zinc/46/27/93/836462793.db2.gz WRNRHGZICULRJY-NWDGAFQWSA-N 1 1 366.399 0.608 20 30 FCEDMO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000751058186 836462804 /nfs/dbraw/zinc/46/28/04/836462804.db2.gz WRNRHGZICULRJY-NWDGAFQWSA-N 1 1 366.399 0.608 20 30 FCEDMO Clc1cc(C=NNC2=[NH+]CCN2)ccc1OCCN1CCOCC1 ZINC000841660138 836549845 /nfs/dbraw/zinc/54/98/45/836549845.db2.gz FXYYHUFBBWQRLJ-UHFFFAOYSA-N 1 1 351.838 0.934 20 30 FCEDMO C=CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101417561 844179072 /nfs/dbraw/zinc/17/90/72/844179072.db2.gz URQKXOXZRQCDHX-MDZRGWNJSA-N 1 1 350.507 0.799 20 30 FCEDMO C=CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101417561 844179085 /nfs/dbraw/zinc/17/90/85/844179085.db2.gz URQKXOXZRQCDHX-MDZRGWNJSA-N 1 1 350.507 0.799 20 30 FCEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001059856197 836649245 /nfs/dbraw/zinc/64/92/45/836649245.db2.gz KPASIVYYAYCUGC-OWCLPIDISA-N 1 1 353.463 0.263 20 30 FCEDMO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001059856197 836649258 /nfs/dbraw/zinc/64/92/58/836649258.db2.gz KPASIVYYAYCUGC-OWCLPIDISA-N 1 1 353.463 0.263 20 30 FCEDMO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC001101456265 844190306 /nfs/dbraw/zinc/19/03/06/844190306.db2.gz LKNUMHRUPROUKU-DYVFJYSZSA-N 1 1 368.865 0.851 20 30 FCEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCCN3C(=O)CNC3=O)C[C@]2(C)C1 ZINC001101456265 844190314 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ZINC001130181952 1201525798 /nfs/dbraw/zinc/52/57/98/1201525798.db2.gz ZICWAODVEQNFNP-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)cn2)n[nH]1 ZINC001130181952 1201525800 /nfs/dbraw/zinc/52/58/00/1201525800.db2.gz ZICWAODVEQNFNP-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC)[nH]1 ZINC001130187742 1201528299 /nfs/dbraw/zinc/52/82/99/1201528299.db2.gz HBSMGNSZYOIGKP-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(F)c2)n1 ZINC001130190511 1201529311 /nfs/dbraw/zinc/52/93/11/1201529311.db2.gz CNBAHFBYWUZWOU-STQMWFEESA-N 1 1 360.393 0.917 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(F)c2)n[nH]1 ZINC001130190511 1201529314 /nfs/dbraw/zinc/52/93/14/1201529314.db2.gz CNBAHFBYWUZWOU-STQMWFEESA-N 1 1 360.393 0.917 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn[nH]c2)n1 ZINC001130190917 1201529796 /nfs/dbraw/zinc/52/97/96/1201529796.db2.gz UPDRAHRPGCRSPR-KBPBESRZSA-N 1 1 359.434 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn[nH]c2)n[nH]1 ZINC001130190917 1201529798 /nfs/dbraw/zinc/52/97/98/1201529798.db2.gz UPDRAHRPGCRSPR-KBPBESRZSA-N 1 1 359.434 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnn2C)n1 ZINC001130193204 1201529895 /nfs/dbraw/zinc/52/98/95/1201529895.db2.gz MGMYIBLKBHEZTQ-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2C)n[nH]1 ZINC001130193204 1201529897 /nfs/dbraw/zinc/52/98/97/1201529897.db2.gz MGMYIBLKBHEZTQ-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCOC2)[nH]1 ZINC001130193222 1201531055 /nfs/dbraw/zinc/53/10/55/1201531055.db2.gz NEWLNSNWXLXOKI-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ocnc2C)n1 ZINC001130198327 1201533654 /nfs/dbraw/zinc/53/36/54/1201533654.db2.gz GJZBNVNIBJICPR-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ocnc2C)n[nH]1 ZINC001130198327 1201533656 /nfs/dbraw/zinc/53/36/56/1201533656.db2.gz GJZBNVNIBJICPR-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2)n1 ZINC001130203264 1201539792 /nfs/dbraw/zinc/53/97/92/1201539792.db2.gz VVLHRFORYORGKE-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2)n[nH]1 ZINC001130203264 1201539795 /nfs/dbraw/zinc/53/97/95/1201539795.db2.gz VVLHRFORYORGKE-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(C)cn2)n1 ZINC001130203274 1201540013 /nfs/dbraw/zinc/54/00/13/1201540013.db2.gz WKHQPLZWWKGDTA-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(C)cn2)n[nH]1 ZINC001130203274 1201540018 /nfs/dbraw/zinc/54/00/18/1201540018.db2.gz WKHQPLZWWKGDTA-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130204773 1201540472 /nfs/dbraw/zinc/54/04/72/1201540472.db2.gz KAVRSYPUYKVQFQ-KKUMJFAQSA-N 1 1 363.462 0.457 20 30 FCEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130204773 1201540476 /nfs/dbraw/zinc/54/04/76/1201540476.db2.gz KAVRSYPUYKVQFQ-KKUMJFAQSA-N 1 1 363.462 0.457 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)ccn2C)[nH]1 ZINC001130205043 1201540698 /nfs/dbraw/zinc/54/06/98/1201540698.db2.gz QNKKRVVLFZDGRQ-GJZGRUSLSA-N 1 1 370.457 0.867 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1 ZINC001130205325 1201541011 /nfs/dbraw/zinc/54/10/11/1201541011.db2.gz VXPXGXIWNAEFFU-WHJWBVKISA-N 1 1 354.414 0.558 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130205325 1201541014 /nfs/dbraw/zinc/54/10/14/1201541014.db2.gz VXPXGXIWNAEFFU-WHJWBVKISA-N 1 1 354.414 0.558 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCOCC2)n1 ZINC001130207732 1201541406 /nfs/dbraw/zinc/54/14/06/1201541406.db2.gz NLGCJZJPRQNCHL-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCOCC2)n[nH]1 ZINC001130207732 1201541410 /nfs/dbraw/zinc/54/14/10/1201541410.db2.gz NLGCJZJPRQNCHL-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130207860 1201542836 /nfs/dbraw/zinc/54/28/36/1201542836.db2.gz SUZUFVTVKZJPJO-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130207860 1201542838 /nfs/dbraw/zinc/54/28/38/1201542838.db2.gz SUZUFVTVKZJPJO-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]c3c2CCC3)n1 ZINC001130220504 1201544369 /nfs/dbraw/zinc/54/43/69/1201544369.db2.gz ASCMPHYPCXZHRK-JSGCOSHPSA-N 1 1 371.445 0.595 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(OC)C2)n1 ZINC001130220531 1201544534 /nfs/dbraw/zinc/54/45/34/1201544534.db2.gz BQNZNAJYKCRIRB-WUCCLRPBSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(OC)C2)n[nH]1 ZINC001130220531 1201544537 /nfs/dbraw/zinc/54/45/37/1201544537.db2.gz BQNZNAJYKCRIRB-WUCCLRPBSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OCC)C2CC2)[nH]1 ZINC001130213066 1201544673 /nfs/dbraw/zinc/54/46/73/1201544673.db2.gz RWVZDYNBJGXWEE-DZKIICNBSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OCC)C2CC2)n1 ZINC001130212857 1201544715 /nfs/dbraw/zinc/54/47/15/1201544715.db2.gz HQXFOHJAPXWZRT-DZKIICNBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OCC)C2CC2)n[nH]1 ZINC001130212857 1201544718 /nfs/dbraw/zinc/54/47/18/1201544718.db2.gz HQXFOHJAPXWZRT-DZKIICNBSA-N 1 1 363.462 0.884 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2)[nH]1 ZINC001130200086 1201547627 /nfs/dbraw/zinc/54/76/27/1201547627.db2.gz ADWMVQRJIYBHHF-HOTGVXAUSA-N 1 1 368.441 0.544 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ncn2)n1 ZINC001130200740 1201548522 /nfs/dbraw/zinc/54/85/22/1201548522.db2.gz VKMOSSPTHKZTTE-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)ncn2)n[nH]1 ZINC001130200740 1201548524 /nfs/dbraw/zinc/54/85/24/1201548524.db2.gz VKMOSSPTHKZTTE-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cc(C)cn2)n1 ZINC001130200876 1201548934 /nfs/dbraw/zinc/54/89/34/1201548934.db2.gz ZELFPRMOKINEQB-KBPBESRZSA-N 1 1 359.434 0.274 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2cc(C)cn2)n[nH]1 ZINC001130200876 1201548939 /nfs/dbraw/zinc/54/89/39/1201548939.db2.gz ZELFPRMOKINEQB-KBPBESRZSA-N 1 1 359.434 0.274 20 30 FCEDMO COCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130202632 1201549038 /nfs/dbraw/zinc/54/90/38/1201549038.db2.gz FVIHPRVCUZEFCB-IHRRRGAJSA-N 1 1 364.450 0.469 20 30 FCEDMO COCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130202632 1201549040 /nfs/dbraw/zinc/54/90/40/1201549040.db2.gz FVIHPRVCUZEFCB-IHRRRGAJSA-N 1 1 364.450 0.469 20 30 FCEDMO C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccn2)[nH]1 ZINC001130202948 1201549726 /nfs/dbraw/zinc/54/97/26/1201549726.db2.gz PCJZKZIGZRYWTG-QEJZJMRPSA-N 1 1 369.429 0.638 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccncc2)[nH]1 ZINC001130220824 1201551047 /nfs/dbraw/zinc/55/10/47/1201551047.db2.gz NBMWNMMWIJJGKD-HOTGVXAUSA-N 1 1 368.441 0.544 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(C)nc2CC)[nH]1 ZINC001130223127 1201552290 /nfs/dbraw/zinc/55/22/90/1201552290.db2.gz NHTGKVGMJMIJHM-WFASDCNBSA-N 1 1 371.445 0.126 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(C)nc2CC)n[nH]1 ZINC001130223127 1201552292 /nfs/dbraw/zinc/55/22/92/1201552292.db2.gz NHTGKVGMJMIJHM-WFASDCNBSA-N 1 1 371.445 0.126 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C(C)C)n[nH]2)[nH]1 ZINC001130240337 1201554869 /nfs/dbraw/zinc/55/48/69/1201554869.db2.gz OPCWDISVEIAUBP-WFASDCNBSA-N 1 1 371.445 0.677 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC(C)C)OC)[nH]1 ZINC001130232500 1201557187 /nfs/dbraw/zinc/55/71/87/1201557187.db2.gz IYYHCYAFNQEBAT-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(C)c2C)n1 ZINC001130232909 1201558464 /nfs/dbraw/zinc/55/84/64/1201558464.db2.gz SVEUCCFEJPKAHE-HOTGVXAUSA-N 1 1 370.457 0.867 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)c2C)n[nH]1 ZINC001130232909 1201558467 /nfs/dbraw/zinc/55/84/67/1201558467.db2.gz SVEUCCFEJPKAHE-HOTGVXAUSA-N 1 1 370.457 0.867 20 30 FCEDMO C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130240257 1201560809 /nfs/dbraw/zinc/56/08/09/1201560809.db2.gz KSWGETYTEMIYEA-KBPBESRZSA-N 1 1 365.478 0.868 20 30 FCEDMO C=CCC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130240257 1201560815 /nfs/dbraw/zinc/56/08/15/1201560815.db2.gz KSWGETYTEMIYEA-KBPBESRZSA-N 1 1 365.478 0.868 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2C)[nH]1 ZINC001130237982 1201560847 /nfs/dbraw/zinc/56/08/47/1201560847.db2.gz NFCXESOXHQAUPJ-HOSILWTGSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCCOC)n1 ZINC001130246338 1201566238 /nfs/dbraw/zinc/56/62/38/1201566238.db2.gz GLHYLEBCGOCUMA-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCCOC)n[nH]1 ZINC001130246338 1201566241 /nfs/dbraw/zinc/56/62/41/1201566241.db2.gz GLHYLEBCGOCUMA-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccn2)n1 ZINC001130246761 1201567069 /nfs/dbraw/zinc/56/70/69/1201567069.db2.gz OWILSJZKAGNVJV-STQMWFEESA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccn2)n[nH]1 ZINC001130246761 1201567073 /nfs/dbraw/zinc/56/70/73/1201567073.db2.gz OWILSJZKAGNVJV-STQMWFEESA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(C)n2)n1 ZINC001130249199 1201569394 /nfs/dbraw/zinc/56/93/94/1201569394.db2.gz OQQLAWYLAINJMV-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(C)n2)n[nH]1 ZINC001130249199 1201569397 /nfs/dbraw/zinc/56/93/97/1201569397.db2.gz OQQLAWYLAINJMV-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC=C)n1 ZINC001130251229 1201570291 /nfs/dbraw/zinc/57/02/91/1201570291.db2.gz JFQHDZFYXAELPH-ILXRZTDVSA-N 1 1 361.446 0.497 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OCC=C)n[nH]1 ZINC001130251229 1201570295 /nfs/dbraw/zinc/57/02/95/1201570295.db2.gz JFQHDZFYXAELPH-ILXRZTDVSA-N 1 1 361.446 0.497 20 30 FCEDMO C=CC[C@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000805809908 1201587740 /nfs/dbraw/zinc/58/77/40/1201587740.db2.gz ZROKEFCWHLFERN-KRWDZBQOSA-N 1 1 373.501 0.957 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2coc(-c3ccccn3)n2)[C@@H](O)C1 ZINC001219941674 1224692512 /nfs/dbraw/zinc/69/25/12/1224692512.db2.gz KLTXITIZPQSEAS-ZBFHGGJFSA-N 1 1 358.398 0.714 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2coc(-c3ccccn3)n2)[C@@H](O)C1 ZINC001219941674 1224692514 /nfs/dbraw/zinc/69/25/14/1224692514.db2.gz KLTXITIZPQSEAS-ZBFHGGJFSA-N 1 1 358.398 0.714 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2coc(-c3cccnc3)n2)[C@@H](O)C1 ZINC001219949824 1224696366 /nfs/dbraw/zinc/69/63/66/1224696366.db2.gz WGRVWGBXEYJZOX-ZBFHGGJFSA-N 1 1 358.398 0.714 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2coc(-c3cccnc3)n2)[C@@H](O)C1 ZINC001219949824 1224696369 /nfs/dbraw/zinc/69/63/69/1224696369.db2.gz WGRVWGBXEYJZOX-ZBFHGGJFSA-N 1 1 358.398 0.714 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001219951434 1224697268 /nfs/dbraw/zinc/69/72/68/1224697268.db2.gz JOXOHQDNMLNFEI-WBVHZDCISA-N 1 1 359.426 0.183 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130518515 1202708718 /nfs/dbraw/zinc/70/87/18/1202708718.db2.gz BDCKDWBLBPNHLG-WMLDXEAASA-N 1 1 358.446 0.852 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130587558 1202724133 /nfs/dbraw/zinc/72/41/33/1202724133.db2.gz SFDQFEMNJDLTBV-FUHWJXTLSA-N 1 1 370.457 0.278 20 30 FCEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2cnn(C)n2)c1 ZINC001130592927 1202726522 /nfs/dbraw/zinc/72/65/22/1202726522.db2.gz LRUMYXGVYGNAEB-DOTOQJQBSA-N 1 1 369.473 0.682 20 30 FCEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130605159 1202733297 /nfs/dbraw/zinc/73/32/97/1202733297.db2.gz WQQQVLTZYKBYFD-FUHWJXTLSA-N 1 1 370.457 0.310 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C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001211470853 1223747417 /nfs/dbraw/zinc/74/74/17/1223747417.db2.gz DIVSZOVUIQEYME-RHSMWYFYSA-N 1 1 366.425 0.067 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001211470853 1223747421 /nfs/dbraw/zinc/74/74/21/1223747421.db2.gz DIVSZOVUIQEYME-RHSMWYFYSA-N 1 1 366.425 0.067 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](OC)C1 ZINC001213141507 1223754745 /nfs/dbraw/zinc/75/47/45/1223754745.db2.gz STNFHNKVNMDQHO-HZPDHXFCSA-N 1 1 364.446 0.285 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCNC(=O)C(C)(C)C)[C@H](OC)C1 ZINC001213250853 1223778682 /nfs/dbraw/zinc/77/86/82/1223778682.db2.gz POUYDCDORBSXAP-HZPDHXFCSA-N 1 1 369.506 0.947 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2ccccc2=O)[C@H](OC)C1 ZINC001213266744 1223780796 /nfs/dbraw/zinc/78/07/96/1223780796.db2.gz HTFWFEYWCWUWFK-IAGOWNOFSA-N 1 1 363.458 0.647 20 30 FCEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1OC ZINC001213347846 1223789468 /nfs/dbraw/zinc/78/94/68/1223789468.db2.gz ATEFVERWPIBZNC-ZIAGYGMSSA-N 1 1 366.462 0.489 20 30 FCEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1OC ZINC001213347846 1223789470 /nfs/dbraw/zinc/78/94/70/1223789470.db2.gz ATEFVERWPIBZNC-ZIAGYGMSSA-N 1 1 366.462 0.489 20 30 FCEDMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001213477693 1223803918 /nfs/dbraw/zinc/80/39/18/1223803918.db2.gz WZIPHDIOVLIGTJ-RCCFBDPRSA-N 1 1 358.442 0.788 20 30 FCEDMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001213477693 1223803921 /nfs/dbraw/zinc/80/39/21/1223803921.db2.gz WZIPHDIOVLIGTJ-RCCFBDPRSA-N 1 1 358.442 0.788 20 30 FCEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1OC ZINC001213537335 1223810859 /nfs/dbraw/zinc/81/08/59/1223810859.db2.gz HUJUQDOWXYXTPT-KZNAEPCWSA-N 1 1 367.490 0.699 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)[C@H](OC)C1 ZINC001213540680 1223811245 /nfs/dbraw/zinc/81/12/45/1223811245.db2.gz KYBYSYADBJGTTO-IAGOWNOFSA-N 1 1 361.442 0.989 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)[nH]c2=O)[C@H](OC)C1 ZINC001213540680 1223811248 /nfs/dbraw/zinc/81/12/48/1223811248.db2.gz KYBYSYADBJGTTO-IAGOWNOFSA-N 1 1 361.442 0.989 20 30 FCEDMO CO[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001213578336 1223816957 /nfs/dbraw/zinc/81/69/57/1223816957.db2.gz MHESWRMOOJZMEC-WOJBJXKFSA-N 1 1 371.481 0.576 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H](OC)C1 ZINC001213716765 1223838676 /nfs/dbraw/zinc/83/86/76/1223838676.db2.gz FWBLRYICCJFBPV-ZIAGYGMSSA-N 1 1 361.402 0.067 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC000978151969 1248707652 /nfs/dbraw/zinc/70/76/52/1248707652.db2.gz CCXJFXRVKWIGBP-DZVNLGKHSA-N 1 1 361.486 0.882 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1 ZINC001213798480 1223851841 /nfs/dbraw/zinc/85/18/41/1223851841.db2.gz HUHQXHIHBXJJJI-HZPDHXFCSA-N 1 1 365.478 0.452 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CNC(=O)NCc2ccco2)[C@H](OC)C1 ZINC001213914612 1223871471 /nfs/dbraw/zinc/87/14/71/1223871471.db2.gz NOFCEKVTXOVOQH-HZPDHXFCSA-N 1 1 364.446 0.860 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2cccnc2)N(C)C)[C@H](OC)C1 ZINC001213934344 1223875761 /nfs/dbraw/zinc/87/57/61/1223875761.db2.gz QEOASMSERWTCKG-KZNAEPCWSA-N 1 1 362.474 0.702 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cccc3nnn(C)c32)[C@H](OC)C1 ZINC001214004048 1223885232 /nfs/dbraw/zinc/88/52/32/1223885232.db2.gz HHPSIVDQBMSOIA-HZPDHXFCSA-N 1 1 359.430 0.600 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001214524700 1223918540 /nfs/dbraw/zinc/91/85/40/1223918540.db2.gz LEPIZVOBSDCDNT-GDBMZVCRSA-N 1 1 360.462 0.765 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001214608654 1223925642 /nfs/dbraw/zinc/92/56/42/1223925642.db2.gz DJCOVPMTBUFCQC-MZMPZRCHSA-N 1 1 361.417 0.829 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1C ZINC001214672632 1223931124 /nfs/dbraw/zinc/93/11/24/1223931124.db2.gz QUVADFOPTDSNIK-TYNCELHUSA-N 1 1 354.414 0.146 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1C ZINC001214672454 1223931359 /nfs/dbraw/zinc/93/13/59/1223931359.db2.gz LCFIORQSMPHNGS-LALPHHSUSA-N 1 1 356.430 0.699 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1C ZINC001215219967 1223983239 /nfs/dbraw/zinc/98/32/39/1223983239.db2.gz RTEHKSRARHZKNZ-IJEWVQPXSA-N 1 1 360.462 0.092 20 30 FCEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001215802892 1224018527 /nfs/dbraw/zinc/01/85/27/1224018527.db2.gz MNAJWJMKOUPOMH-KBRIMQKVSA-N 1 1 362.478 0.705 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@H]1C ZINC001216755798 1224069141 /nfs/dbraw/zinc/06/91/41/1224069141.db2.gz FBTUBECECYYRDC-MLGOLLRUSA-N 1 1 355.398 0.469 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)cn1 ZINC000987518278 1249069819 /nfs/dbraw/zinc/06/98/19/1249069819.db2.gz QYISSOOSMUPIGK-XOKHGSTOSA-N 1 1 356.426 0.113 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)cn1 ZINC000987518278 1249069830 /nfs/dbraw/zinc/06/98/30/1249069830.db2.gz QYISSOOSMUPIGK-XOKHGSTOSA-N 1 1 356.426 0.113 20 30 FCEDMO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)nn1 ZINC000988068285 1249323062 /nfs/dbraw/zinc/32/30/62/1249323062.db2.gz DCBMDFHDWIWJNT-HIFRSBDPSA-N 1 1 360.462 0.668 20 30 FCEDMO C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)CC1 ZINC000988098746 1249347100 /nfs/dbraw/zinc/34/71/00/1249347100.db2.gz SJQIADFXPLYOMN-NXHRZFHOSA-N 1 1 360.502 0.389 20 30 FCEDMO 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C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000993740882 1249943837 /nfs/dbraw/zinc/94/38/37/1249943837.db2.gz XZGKJAZVLFXFRI-INMHGKMJSA-N 1 1 357.458 0.342 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000993740882 1249943849 /nfs/dbraw/zinc/94/38/49/1249943849.db2.gz XZGKJAZVLFXFRI-INMHGKMJSA-N 1 1 357.458 0.342 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2=COCCC2)[C@H](C)C1 ZINC000993816051 1249989489 /nfs/dbraw/zinc/98/94/89/1249989489.db2.gz RLXPDOUBTSQTMK-NXHRZFHOSA-N 1 1 359.470 0.989 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2=COCCC2)[C@H](C)C1 ZINC000993816051 1249989504 /nfs/dbraw/zinc/98/95/04/1249989504.db2.gz RLXPDOUBTSQTMK-NXHRZFHOSA-N 1 1 359.470 0.989 20 30 FCEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993897876 1250054745 /nfs/dbraw/zinc/05/47/45/1250054745.db2.gz GRGDCVOTXXSFLL-IOASZLSFSA-N 1 1 359.430 0.041 20 30 FCEDMO C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000993897876 1250054755 /nfs/dbraw/zinc/05/47/55/1250054755.db2.gz GRGDCVOTXXSFLL-IOASZLSFSA-N 1 1 359.430 0.041 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)CCNC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000064442318 1245301272 /nfs/dbraw/zinc/30/12/72/1245301272.db2.gz XONOORIGANZMPS-UHFFFAOYSA-N 1 1 374.466 0.283 20 30 FCEDMO O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847314492 1245334251 /nfs/dbraw/zinc/33/42/51/1245334251.db2.gz OFDQLGRWOSBJRZ-OVZRNVPMSA-N 1 1 361.446 0.829 20 30 FCEDMO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000921398208 1245641229 /nfs/dbraw/zinc/64/12/29/1245641229.db2.gz FWAQSEMACIWJAX-HZPDHXFCSA-N 1 1 361.442 0.962 20 30 FCEDMO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000921398208 1245641238 /nfs/dbraw/zinc/64/12/38/1245641238.db2.gz FWAQSEMACIWJAX-HZPDHXFCSA-N 1 1 361.442 0.962 20 30 FCEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 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C=CCn1c(-c2cc(=O)[nH]c(C)n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001340569471 1268589102 /nfs/dbraw/zinc/58/91/02/1268589102.db2.gz AJXZSPSBCLSOIG-CYBMUJFWSA-N 1 1 357.418 0.456 20 30 FCEDMO C=CCn1c(N2CC[NH+](CCOCC)CC2)nnc1[C@@]1(O)CCOC1 ZINC001340623933 1268607471 /nfs/dbraw/zinc/60/74/71/1268607471.db2.gz MIVPDPHDBVXNMS-QGZVFWFLSA-N 1 1 351.451 0.231 20 30 FCEDMO C=CCn1c(CCn2cc[nH+]c2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001340730594 1268637843 /nfs/dbraw/zinc/63/78/43/1268637843.db2.gz ZHJZIWBZXHWTDL-CQSZACIVSA-N 1 1 364.475 0.835 20 30 FCEDMO C=CCn1c(Cn2cnc(C#N)n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001340746299 1268642222 /nfs/dbraw/zinc/64/22/22/1268642222.db2.gz LEHYNFCUSLBPKY-UHFFFAOYSA-N 1 1 355.450 0.896 20 30 FCEDMO C=CCn1c([C@@H](O)COC)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001340792861 1268659135 /nfs/dbraw/zinc/65/91/35/1268659135.db2.gz QRZOBTNSARAFNY-CABCVRRESA-N 1 1 351.451 0.302 20 30 FCEDMO C=C(C)Cn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001341839875 1269238899 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WWHOXWYNQBUHGU-HDICACEKSA-N 1 1 355.438 0.343 20 30 FCEDMO CC#CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC001342868844 1269651972 /nfs/dbraw/zinc/65/19/72/1269651972.db2.gz PUPPHRCYSVPYHR-MRXNPFEDSA-N 1 1 373.453 0.924 20 30 FCEDMO CC#CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC001342868844 1269651982 /nfs/dbraw/zinc/65/19/82/1269651982.db2.gz PUPPHRCYSVPYHR-MRXNPFEDSA-N 1 1 373.453 0.924 20 30 FCEDMO C=C(C)Cn1c(Cc2nnc(C)[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001342870804 1269654507 /nfs/dbraw/zinc/65/45/07/1269654507.db2.gz CVIIMMAAHVFAMM-UHFFFAOYSA-N 1 1 360.466 0.640 20 30 FCEDMO C[N@H+]1C[C@H](C(=O)N[C@H]2CCN(CC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001566674112 1269655879 /nfs/dbraw/zinc/65/58/79/1269655879.db2.gz DRPNNSRAEYVIAM-KSZLIROESA-N 1 1 369.469 0.162 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+]([C@@H]3CCOC3)CC2)nnc1[C@]1(O)CCOC1 ZINC001343230220 1269822142 /nfs/dbraw/zinc/82/21/42/1269822142.db2.gz HUTOZSRHPZWFDE-QAPCUYQASA-N 1 1 363.462 0.373 20 30 FCEDMO 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SONZKGBLDXOOAC-UHFFFAOYSA-N 1 1 367.457 0.885 20 30 FCEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001575066437 1271706740 /nfs/dbraw/zinc/70/67/40/1271706740.db2.gz SPENPSXRAXVUQL-ZBFHGGJFSA-N 1 1 374.489 0.946 20 30 FCEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001575066437 1271706744 /nfs/dbraw/zinc/70/67/44/1271706744.db2.gz SPENPSXRAXVUQL-ZBFHGGJFSA-N 1 1 374.489 0.946 20 30 FCEDMO C=CCC1(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCc3cn[nH]n3)C[C@H]2C)CCC1 ZINC001575084805 1271713491 /nfs/dbraw/zinc/71/34/91/1271713491.db2.gz DHHJUWZBAWCYSY-HUUCEWRRSA-N 1 1 374.489 0.851 20 30 FCEDMO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCc3c[nH]nn3)C[C@H]2C)CCC1 ZINC001575084805 1271713500 /nfs/dbraw/zinc/71/35/00/1271713500.db2.gz DHHJUWZBAWCYSY-HUUCEWRRSA-N 1 1 374.489 0.851 20 30 FCEDMO C=CCC1(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCc3c[nH]nn3)C[C@H]2C)CCC1 ZINC001575084805 1271713511 /nfs/dbraw/zinc/71/35/11/1271713511.db2.gz DHHJUWZBAWCYSY-HUUCEWRRSA-N 1 1 374.489 0.851 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CCCCc3c[nH]nn3)C2)C1 ZINC001575103283 1271718393 /nfs/dbraw/zinc/71/83/93/1271718393.db2.gz ACPHHTQFJYXZFU-UHFFFAOYSA-N 1 1 374.489 0.744 20 30 FCEDMO C=CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)CCCCc3c[nH]nn3)C2)C1 ZINC001575103283 1271718400 /nfs/dbraw/zinc/71/84/00/1271718400.db2.gz ACPHHTQFJYXZFU-UHFFFAOYSA-N 1 1 374.489 0.744 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001575103544 1271718692 /nfs/dbraw/zinc/71/86/92/1271718692.db2.gz GBUOEEXVRAEXJW-JKIFEVAISA-N 1 1 374.489 0.944 20 30 FCEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCc3cn[nH]n3)C2)nn1 ZINC001575100668 1271719165 /nfs/dbraw/zinc/71/91/65/1271719165.db2.gz TXKSQDYKVMORTM-AWEZNQCLSA-N 1 1 358.450 0.657 20 30 FCEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CCc3c[nH]nn3)C2)nn1 ZINC001575100668 1271719170 /nfs/dbraw/zinc/71/91/70/1271719170.db2.gz TXKSQDYKVMORTM-AWEZNQCLSA-N 1 1 358.450 0.657 20 30 FCEDMO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CCc3c[nH]nn3)C2)nn1 ZINC001575100668 1271719192 /nfs/dbraw/zinc/71/91/92/1271719192.db2.gz TXKSQDYKVMORTM-AWEZNQCLSA-N 1 1 358.450 0.657 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575104748 1271720754 /nfs/dbraw/zinc/72/07/54/1271720754.db2.gz VRBXFCFDTMASLP-NWDGAFQWSA-N 1 1 357.418 0.265 20 30 FCEDMO C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575104760 1271720795 /nfs/dbraw/zinc/72/07/95/1271720795.db2.gz VYMSYSGEMHAJLF-OAHLLOKOSA-N 1 1 369.429 0.363 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575104760 1271720800 /nfs/dbraw/zinc/72/08/00/1271720800.db2.gz VYMSYSGEMHAJLF-OAHLLOKOSA-N 1 1 369.429 0.363 20 30 FCEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575104760 1271720809 /nfs/dbraw/zinc/72/08/09/1271720809.db2.gz VYMSYSGEMHAJLF-OAHLLOKOSA-N 1 1 369.429 0.363 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575105013 1271721950 /nfs/dbraw/zinc/72/19/50/1271721950.db2.gz ZMFRDFVNPKAROW-VXGBXAGGSA-N 1 1 357.418 0.265 20 30 FCEDMO C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1=O ZINC001575104405 1271722191 /nfs/dbraw/zinc/72/21/91/1271722191.db2.gz QPMAEMQDOISTHD-XJKSGUPXSA-N 1 1 368.441 0.967 20 30 FCEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575110101 1271723507 /nfs/dbraw/zinc/72/35/07/1271723507.db2.gz IXIALJOARLSGLD-QLPKVWCKSA-N 1 1 354.414 0.729 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575110101 1271723516 /nfs/dbraw/zinc/72/35/16/1271723516.db2.gz IXIALJOARLSGLD-QLPKVWCKSA-N 1 1 354.414 0.729 20 30 FCEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575110101 1271723520 /nfs/dbraw/zinc/72/35/20/1271723520.db2.gz IXIALJOARLSGLD-QLPKVWCKSA-N 1 1 354.414 0.729 20 30 FCEDMO CC#CCCCC(=O)N1CCC[C@@H](C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575117389 1271731070 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/nfs/dbraw/zinc/36/26/85/846362685.db2.gz SGWCCYAZVHHYAA-QJPTWQEYSA-N 1 1 365.421 0.856 20 30 FCEDMO CC[C@@H](C)OCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112084627 846362906 /nfs/dbraw/zinc/36/29/06/846362906.db2.gz IZDONLTUEVOKLV-IJLUTSLNSA-N 1 1 364.368 0.420 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C(F)(F)F ZINC001112088429 846366536 /nfs/dbraw/zinc/36/65/36/846366536.db2.gz GIHHAZPUVDVUQV-CHWSQXEVSA-N 1 1 357.332 0.930 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001112101072 846381428 /nfs/dbraw/zinc/38/14/28/846381428.db2.gz WZYSVDUGDHFHPQ-YNEHKIRRSA-N 1 1 361.364 0.236 20 30 FCEDMO C=CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112107993 846387596 /nfs/dbraw/zinc/38/75/96/846387596.db2.gz WZVTWHZNDQVQML-NXEZZACHSA-N 1 1 364.368 0.763 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C(F)(F)F ZINC001112120463 846398428 /nfs/dbraw/zinc/39/84/28/846398428.db2.gz VCSISGMJZLVXEY-MWLCHTKSSA-N 1 1 360.361 0.485 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1C(F)(F)F ZINC001112120223 846398863 /nfs/dbraw/zinc/39/88/63/846398863.db2.gz JSGNQRBENVKYNM-IVZWLZJFSA-N 1 1 368.306 0.650 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)CS(=O)(=O)CC(C)C)C[C@H]1C(F)(F)F ZINC001112123365 846401730 /nfs/dbraw/zinc/40/17/30/846401730.db2.gz GIZUNSXSFPLFBY-VXGBXAGGSA-N 1 1 354.394 0.669 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112126335 846403643 /nfs/dbraw/zinc/40/36/43/846403643.db2.gz LMKVEIYYISABCV-FXPVBKGRSA-N 1 1 360.340 0.088 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C(F)(F)F ZINC001112126336 846403744 /nfs/dbraw/zinc/40/37/44/846403744.db2.gz LMKVEIYYISABCV-IQJOONFLSA-N 1 1 360.340 0.088 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1C(F)(F)F ZINC001112128437 846405805 /nfs/dbraw/zinc/40/58/05/846405805.db2.gz KBHXEVNXTLOUSF-QJPTWQEYSA-N 1 1 352.378 0.423 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC001112137746 846410326 /nfs/dbraw/zinc/41/03/26/846410326.db2.gz BZGMBGNCWKCHCR-JHJVBQTASA-N 1 1 366.405 0.956 20 30 FCEDMO C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(N)=O)C1 ZINC001112138122 846411817 /nfs/dbraw/zinc/41/18/17/846411817.db2.gz UWIVRBHHUPSHLW-GYSYKLTISA-N 1 1 351.369 0.679 20 30 FCEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112152413 846421230 /nfs/dbraw/zinc/42/12/30/846421230.db2.gz WMEMDTAZJBJUAB-HBNTYKKESA-N 1 1 364.368 0.763 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C(F)(F)F ZINC001112171540 846433367 /nfs/dbraw/zinc/43/33/67/846433367.db2.gz NQFSNEDWWPTXAL-VXGBXAGGSA-N 1 1 359.352 0.233 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C(F)(F)F ZINC001112182023 846442177 /nfs/dbraw/zinc/44/21/77/846442177.db2.gz JZCNNCLTLCQEIK-VXGBXAGGSA-N 1 1 358.320 0.441 20 30 FCEDMO 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1 1 350.463 0.442 20 30 FCEDMO C=C(C[NH+]1CCCC1)C(=O)N1Cc2[nH]nc(C(=O)NCC(F)F)c2C1 ZINC001277341351 861843882 /nfs/dbraw/zinc/84/38/82/861843882.db2.gz ZMOKLIANBUYETM-UHFFFAOYSA-N 1 1 353.373 0.899 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001121580375 848372185 /nfs/dbraw/zinc/37/21/85/848372185.db2.gz ADBNNWCVWZFOTL-KGLIPLIRSA-N 1 1 368.507 0.749 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001121580375 848372196 /nfs/dbraw/zinc/37/21/96/848372196.db2.gz ADBNNWCVWZFOTL-KGLIPLIRSA-N 1 1 368.507 0.749 20 30 FCEDMO C=C(C)Cn1c([C@@H](O)COC)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122389399 848501915 /nfs/dbraw/zinc/50/19/15/848501915.db2.gz ZLZYBSXEIASKGJ-CABCVRRESA-N 1 1 351.451 0.445 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001128988789 848792039 /nfs/dbraw/zinc/79/20/39/848792039.db2.gz CUAGPPWYAKCQFB-XQQFMLRXSA-N 1 1 359.352 0.610 20 30 FCEDMO 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QHKLZMVNMOIJFN-YUELXQCFSA-N 1 1 362.459 0.867 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190522 848968240 /nfs/dbraw/zinc/96/82/40/848968240.db2.gz DABPSGPSLPOUHT-RYUDHWBXSA-N 1 1 350.448 0.326 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190522 848968250 /nfs/dbraw/zinc/96/82/50/848968250.db2.gz DABPSGPSLPOUHT-RYUDHWBXSA-N 1 1 350.448 0.326 20 30 FCEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCOC)n[nH]1 ZINC001130193083 848970431 /nfs/dbraw/zinc/97/04/31/848970431.db2.gz HRSNLDNWNOLZTE-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCOC)n1 ZINC001130193083 848970435 /nfs/dbraw/zinc/97/04/35/848970435.db2.gz HRSNLDNWNOLZTE-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C/Cl)n[nH]1 ZINC001130202766 848973370 /nfs/dbraw/zinc/97/33/70/848973370.db2.gz KCIBNEGHNJWDNE-CDBNLRSOSA-N 1 1 369.853 0.838 20 30 FCEDMO 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COC(=O)[C@H](O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000331635246 215027037 /nfs/dbraw/zinc/02/70/37/215027037.db2.gz IPRVUFJEUFKRIL-DLBZAZTESA-N 1 1 357.410 0.909 20 30 FCEDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000264904236 210012118 /nfs/dbraw/zinc/01/21/18/210012118.db2.gz XUHDGDUKOUITPL-KRWDZBQOSA-N 1 1 356.474 0.636 20 30 FCEDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C#N)ccn3)CC2)CC1 ZINC000332523543 215167780 /nfs/dbraw/zinc/16/77/80/215167780.db2.gz LNGWXBFOUNDCSQ-UHFFFAOYSA-N 1 1 355.442 0.970 20 30 FCEDMO Cn1c(=O)c(C#N)c(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n(C)c1=O ZINC000360472060 215361500 /nfs/dbraw/zinc/36/15/00/215361500.db2.gz GQYXHHVDTIGDDM-HNNXBMFYSA-N 1 1 353.426 0.666 20 30 FCEDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000360539709 215363238 /nfs/dbraw/zinc/36/32/38/215363238.db2.gz WIGGYTBQPVZPLP-GDBMZVCRSA-N 1 1 353.444 0.312 20 30 FCEDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000360539709 215363241 /nfs/dbraw/zinc/36/32/41/215363241.db2.gz WIGGYTBQPVZPLP-GDBMZVCRSA-N 1 1 353.444 0.312 20 30 FCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](CO)[C@@H]3C)CC2)o1 ZINC000412074721 237160580 /nfs/dbraw/zinc/16/05/80/237160580.db2.gz ISMSYLULQOSSNE-DZGCQCFKSA-N 1 1 361.446 0.596 20 30 FCEDMO C[N@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246409693 209388249 /nfs/dbraw/zinc/38/82/49/209388249.db2.gz JWKSPIDTJBUVED-ROUUACIJSA-N 1 1 358.442 0.288 20 30 FCEDMO C[N@@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000246409693 209388253 /nfs/dbraw/zinc/38/82/53/209388253.db2.gz JWKSPIDTJBUVED-ROUUACIJSA-N 1 1 358.442 0.288 20 30 FCEDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)nn1 ZINC000368857187 216308676 /nfs/dbraw/zinc/30/86/76/216308676.db2.gz SRPOJPHHODMKEN-HUUCEWRRSA-N 1 1 371.397 0.623 20 30 FCEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000369354551 216388693 /nfs/dbraw/zinc/38/86/93/216388693.db2.gz MGLHNLUBFSMFDU-AEFFLSMTSA-N 1 1 372.469 0.848 20 30 FCEDMO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@H]2CO)cn1 ZINC000277695693 212388970 /nfs/dbraw/zinc/38/89/70/212388970.db2.gz HHIKEKKFTMKCNC-LNLFQRSKSA-N 1 1 356.426 0.739 20 30 FCEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000187822307 209220092 /nfs/dbraw/zinc/22/00/92/209220092.db2.gz NROQUBOBUGZYEL-LBPRGKRZSA-N 1 1 362.405 0.939 20 30 FCEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000187822307 209220095 /nfs/dbraw/zinc/22/00/95/209220095.db2.gz NROQUBOBUGZYEL-LBPRGKRZSA-N 1 1 362.405 0.939 20 30 FCEDMO COCCOCCOCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000276309037 212210468 /nfs/dbraw/zinc/21/04/68/212210468.db2.gz WVIKDWUSNJKLKM-KRWDZBQOSA-N 1 1 352.431 0.909 20 30 FCEDMO C[C@]1(C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)NC(=O)NC1=O ZINC000374213729 217109625 /nfs/dbraw/zinc/10/96/25/217109625.db2.gz VBPCZOZGLIFMBB-GOSISDBHSA-N 1 1 355.398 0.807 20 30 FCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)CC2)o1 ZINC000374406141 217125768 /nfs/dbraw/zinc/12/57/68/217125768.db2.gz ZUQLSOUNLOKRBL-HOTGVXAUSA-N 1 1 373.457 0.862 20 30 FCEDMO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)nn1 ZINC000375211130 217232199 /nfs/dbraw/zinc/23/21/99/217232199.db2.gz NAEXXYCOUAIFRG-HNNXBMFYSA-N 1 1 368.397 0.500 20 30 FCEDMO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)nn1 ZINC000375211130 217232202 /nfs/dbraw/zinc/23/22/02/217232202.db2.gz NAEXXYCOUAIFRG-HNNXBMFYSA-N 1 1 368.397 0.500 20 30 FCEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419149366 246018457 /nfs/dbraw/zinc/01/84/57/246018457.db2.gz KEJOPZKGATXESC-CABCVRRESA-N 1 1 350.463 0.270 20 30 FCEDMO N#Cc1cccc(CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000419708370 246260651 /nfs/dbraw/zinc/26/06/51/246260651.db2.gz NNJYMNAIAQOCQX-GOSISDBHSA-N 1 1 363.421 0.785 20 30 FCEDMO CCN(CC)CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000424194927 247176259 /nfs/dbraw/zinc/17/62/59/247176259.db2.gz SLQUTKCADMOIOO-GJZGRUSLSA-N 1 1 358.508 0.365 20 30 FCEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000439354523 248123340 /nfs/dbraw/zinc/12/33/40/248123340.db2.gz IACGQKDTRSUTBP-CYBMUJFWSA-N 1 1 367.413 0.630 20 30 FCEDMO CC#CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000440706014 248209388 /nfs/dbraw/zinc/20/93/88/248209388.db2.gz QOFMUFLUVPCQOB-UHFFFAOYSA-N 1 1 370.453 0.471 20 30 FCEDMO Cc1c(C#N)cccc1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000443123807 248308432 /nfs/dbraw/zinc/30/84/32/248308432.db2.gz OQJIXRUWRKAYRA-UHFFFAOYSA-N 1 1 357.458 0.947 20 30 FCEDMO N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cc2)c1N ZINC000452373851 249311569 /nfs/dbraw/zinc/31/15/69/249311569.db2.gz IGTGXRWYBMFYOC-MRXNPFEDSA-N 1 1 368.441 0.903 20 30 FCEDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000271390938 211393503 /nfs/dbraw/zinc/39/35/03/211393503.db2.gz VFAUYXQMDKPIEH-GOEBONIOSA-N 1 1 353.444 0.312 20 30 FCEDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000271390938 211393507 /nfs/dbraw/zinc/39/35/07/211393507.db2.gz VFAUYXQMDKPIEH-GOEBONIOSA-N 1 1 353.444 0.312 20 30 FCEDMO N#CCCN(C(=O)CCC(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000087083936 229156707 /nfs/dbraw/zinc/15/67/07/229156707.db2.gz JZMQIECGQMYIMQ-UHFFFAOYSA-N 1 1 358.442 0.850 20 30 FCEDMO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1 ZINC000154880722 229188413 /nfs/dbraw/zinc/18/84/13/229188413.db2.gz QYMTUYURFBNYMP-IBGZPJMESA-N 1 1 372.473 0.670 20 30 FCEDMO N#Cc1ncn(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000178725350 229224331 /nfs/dbraw/zinc/22/43/31/229224331.db2.gz WPOGYGYRYCJNKN-UHFFFAOYSA-N 1 1 373.848 0.742 20 30 FCEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000183160805 229231247 /nfs/dbraw/zinc/23/12/47/229231247.db2.gz NNIMAXVDSWEVFX-GOSISDBHSA-N 1 1 360.433 0.991 20 30 FCEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000183160805 229231253 /nfs/dbraw/zinc/23/12/53/229231253.db2.gz NNIMAXVDSWEVFX-GOSISDBHSA-N 1 1 360.433 0.991 20 30 FCEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000182793314 229231790 /nfs/dbraw/zinc/23/17/90/229231790.db2.gz HTTQTGWQPPEUEK-YJBOKZPZSA-N 1 1 360.433 0.849 20 30 FCEDMO C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000246296586 229278071 /nfs/dbraw/zinc/27/80/71/229278071.db2.gz BMLVHXARQWLDRZ-HKUYNNGSSA-N 1 1 355.486 0.859 20 30 FCEDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1C ZINC000249112349 229280874 /nfs/dbraw/zinc/28/08/74/229280874.db2.gz RJACJTCNNBMFMS-GVDBMIGSSA-N 1 1 364.490 0.810 20 30 FCEDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1C ZINC000249112349 229280877 /nfs/dbraw/zinc/28/08/77/229280877.db2.gz RJACJTCNNBMFMS-GVDBMIGSSA-N 1 1 364.490 0.810 20 30 FCEDMO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCCO1)N1CC[C@H](N2CC=CC2)C1 ZINC000262329624 229301776 /nfs/dbraw/zinc/30/17/76/229301776.db2.gz URVKTQJHASBYRH-IRXDYDNUSA-N 1 1 363.506 0.535 20 30 FCEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CCC#N)n1 ZINC000266364589 229365538 /nfs/dbraw/zinc/36/55/38/229365538.db2.gz CQNGSPPMZJAUJZ-AWEZNQCLSA-N 1 1 361.450 0.861 20 30 FCEDMO Cn1ccnc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)c1=O ZINC000329229030 229695232 /nfs/dbraw/zinc/69/52/32/229695232.db2.gz JCCQKVUIKHBOBD-KBPBESRZSA-N 1 1 360.462 0.489 20 30 FCEDMO N#C[C@H]1CN(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCO1 ZINC000409547733 230028477 /nfs/dbraw/zinc/02/84/77/230028477.db2.gz LQCWGJZBPMBJEB-KRWDZBQOSA-N 1 1 364.471 0.663 20 30 FCEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000410477660 230094789 /nfs/dbraw/zinc/09/47/89/230094789.db2.gz VJOAFFSUUQSFBD-OAHLLOKOSA-N 1 1 370.457 0.154 20 30 FCEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000410476802 230095052 /nfs/dbraw/zinc/09/50/52/230095052.db2.gz QZJYHIHHZIBXCR-HNNXBMFYSA-N 1 1 370.457 0.154 20 30 FCEDMO CCOC(=O)CO/N=C(/C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1cc[nH]n1 ZINC000278276197 488864710 /nfs/dbraw/zinc/86/47/10/488864710.db2.gz AWXABVQFNXDXOI-HFPIQRBFSA-N 1 1 363.418 0.460 20 30 FCEDMO CCOC(=O)CON=C(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccn[nH]1 ZINC000278276197 488864712 /nfs/dbraw/zinc/86/47/12/488864712.db2.gz AWXABVQFNXDXOI-HFPIQRBFSA-N 1 1 363.418 0.460 20 30 FCEDMO CCOC(=O)CON=C(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccn[nH]1 ZINC000278276197 488864713 /nfs/dbraw/zinc/86/47/13/488864713.db2.gz AWXABVQFNXDXOI-HFPIQRBFSA-N 1 1 363.418 0.460 20 30 FCEDMO C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CC[NH+](C)CC1 ZINC000299684741 488867396 /nfs/dbraw/zinc/86/73/96/488867396.db2.gz SFBNJOFWLKHYHM-KRWDZBQOSA-N 1 1 355.486 0.838 20 30 FCEDMO C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000326810454 488916963 /nfs/dbraw/zinc/91/69/63/488916963.db2.gz VJSWKDGQZYWFDK-GJZGRUSLSA-N 1 1 353.444 0.264 20 30 FCEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000279222142 488925250 /nfs/dbraw/zinc/92/52/50/488925250.db2.gz PMESGNPQQMNTIE-HNNXBMFYSA-N 1 1 370.453 1.000 20 30 FCEDMO C=C(C)C[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000279400758 488939242 /nfs/dbraw/zinc/93/92/42/488939242.db2.gz VBSPAWSGBNZABK-UHFFFAOYSA-N 1 1 356.426 0.927 20 30 FCEDMO C=C(C)C[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000279400758 488939246 /nfs/dbraw/zinc/93/92/46/488939246.db2.gz VBSPAWSGBNZABK-UHFFFAOYSA-N 1 1 356.426 0.927 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)[N@@H+](C)C1CC1 ZINC000288107758 488943997 /nfs/dbraw/zinc/94/39/97/488943997.db2.gz XGEHNNRHYVRXCF-HNNXBMFYSA-N 1 1 369.469 0.806 20 30 FCEDMO C[C@H](C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[NH+]1CCSCC1 ZINC000328897627 488948484 /nfs/dbraw/zinc/94/84/84/488948484.db2.gz CSWXSYYQWLAOJR-CABCVRRESA-N 1 1 370.519 0.313 20 30 FCEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000279578393 488953925 /nfs/dbraw/zinc/95/39/25/488953925.db2.gz UIFMNWAVFDCDIG-KRWDZBQOSA-N 1 1 360.506 0.931 20 30 FCEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000328970278 488956596 /nfs/dbraw/zinc/95/65/96/488956596.db2.gz USBJNTXSRSVODT-NSHDSACASA-N 1 1 364.368 0.518 20 30 FCEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1 ZINC000328993864 488958605 /nfs/dbraw/zinc/95/86/05/488958605.db2.gz DWIPWNAOTNYZII-OAGGEKHMSA-N 1 1 367.494 0.602 20 30 FCEDMO C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)[N@H+]1CCc2sccc2C1 ZINC000025500615 487667450 /nfs/dbraw/zinc/66/74/50/487667450.db2.gz QPMCXVZZUHYOPK-LLVKDONJSA-N 1 1 359.455 0.876 20 30 FCEDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000043999450 487907885 /nfs/dbraw/zinc/90/78/85/487907885.db2.gz ZWEDHOBHGGBSTJ-MRXNPFEDSA-N 1 1 356.474 0.628 20 30 FCEDMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000046528284 487984853 /nfs/dbraw/zinc/98/48/53/487984853.db2.gz HFCFJUSMALJQJC-UHFFFAOYSA-N 1 1 357.458 0.222 20 30 FCEDMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000046528284 487984857 /nfs/dbraw/zinc/98/48/57/487984857.db2.gz HFCFJUSMALJQJC-UHFFFAOYSA-N 1 1 357.458 0.222 20 30 FCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000046992556 488006550 /nfs/dbraw/zinc/00/65/50/488006550.db2.gz WKMLZBDLYIHSEP-DLBZAZTESA-N 1 1 361.467 0.955 20 30 FCEDMO CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050165501 488106998 /nfs/dbraw/zinc/10/69/98/488106998.db2.gz BNHOAKORWMFKHI-UHFFFAOYSA-N 1 1 373.457 0.649 20 30 FCEDMO C[C@H](CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)CN1CC[NH+](C)CC1 ZINC000329053316 488964151 /nfs/dbraw/zinc/96/41/51/488964151.db2.gz LKZHNNXMSULRRZ-PMPSAXMXSA-N 1 1 364.494 0.637 20 30 FCEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000076283946 488403073 /nfs/dbraw/zinc/40/30/73/488403073.db2.gz BDGSRWVVQLLFRI-CQSZACIVSA-N 1 1 362.405 0.138 20 30 FCEDMO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000187386145 488409758 /nfs/dbraw/zinc/40/97/58/488409758.db2.gz AQGDCMMNBHZKCU-AWEZNQCLSA-N 1 1 357.458 0.947 20 30 FCEDMO Cn1cc(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N ZINC000191220689 488419133 /nfs/dbraw/zinc/41/91/33/488419133.db2.gz FNHCRLTWWGJESW-UHFFFAOYSA-N 1 1 359.455 0.866 20 30 FCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)o1 ZINC000569840574 491197364 /nfs/dbraw/zinc/19/73/64/491197364.db2.gz HNXZISXTFGUOFM-ZBFHGGJFSA-N 1 1 359.430 0.614 20 30 FCEDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CCC#N)n1)Cc1ccccc1 ZINC000086449862 488453007 /nfs/dbraw/zinc/45/30/07/488453007.db2.gz WOQCADBWTACMNF-UHFFFAOYSA-N 1 1 354.414 0.983 20 30 FCEDMO Cn1c(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000089644935 488457454 /nfs/dbraw/zinc/45/74/54/488457454.db2.gz PNVOOBXWTVPYFS-CABCVRRESA-N 1 1 369.425 0.003 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)CC1 ZINC000245573166 488464899 /nfs/dbraw/zinc/46/48/99/488464899.db2.gz YUDDYMZUEHEFBV-DLBZAZTESA-N 1 1 363.506 0.656 20 30 FCEDMO N#Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000269080548 488467493 /nfs/dbraw/zinc/46/74/93/488467493.db2.gz HSMPFURFYQUTPA-UHFFFAOYSA-N 1 1 350.806 0.989 20 30 FCEDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000245966371 488468034 /nfs/dbraw/zinc/46/80/34/488468034.db2.gz DXUZUNYKXQASAJ-MSOLQXFVSA-N 1 1 363.506 0.479 20 30 FCEDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000245966373 488468092 /nfs/dbraw/zinc/46/80/92/488468092.db2.gz DXUZUNYKXQASAJ-QZTJIDSGSA-N 1 1 363.506 0.479 20 30 FCEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000248400710 488495307 /nfs/dbraw/zinc/49/53/07/488495307.db2.gz YAMDUUFXNXCPEC-XJKSGUPXSA-N 1 1 353.426 0.888 20 30 FCEDMO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000269381998 488497886 /nfs/dbraw/zinc/49/78/86/488497886.db2.gz NMAZNGAJDQBPBG-MRXNPFEDSA-N 1 1 373.457 0.646 20 30 FCEDMO O=S1(=O)C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@H](N2CCOCC2)C1 ZINC000269630960 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352.338 0.266 20 30 FCEDMO N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2=O)cc1 ZINC000565986328 491410495 /nfs/dbraw/zinc/41/04/95/491410495.db2.gz AAGJPMYTEJFMLT-ZWKOTPCHSA-N 1 1 367.453 0.165 20 30 FCEDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000566285995 491432889 /nfs/dbraw/zinc/43/28/89/491432889.db2.gz ACGATYIYWJQJMF-QGZVFWFLSA-N 1 1 353.426 0.521 20 30 FCEDMO C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)nn1 ZINC000573713214 491450088 /nfs/dbraw/zinc/45/00/88/491450088.db2.gz MKVGRLQXONHOLU-OAHLLOKOSA-N 1 1 357.414 0.878 20 30 FCEDMO C=C(C)CN(CC)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000559606141 491485141 /nfs/dbraw/zinc/48/51/41/491485141.db2.gz HTVAGHMRIHGSQW-UHFFFAOYSA-N 1 1 374.489 0.530 20 30 FCEDMO CC(C)[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000559612439 491485956 /nfs/dbraw/zinc/48/59/56/491485956.db2.gz ISZGAVTYBABFMM-SFHVURJKSA-N 1 1 371.485 0.563 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000559705385 491492842 /nfs/dbraw/zinc/49/28/42/491492842.db2.gz SZDBVZBNBFAWJZ-WBVHZDCISA-N 1 1 366.506 0.226 20 30 FCEDMO CCn1cc(C#N)c(=O)n(Cc2ccc(C[NH+]3CCOCC3)cc2)c1=O ZINC000567259420 491495417 /nfs/dbraw/zinc/49/54/17/491495417.db2.gz MMQCQGRXDNKHNJ-UHFFFAOYSA-N 1 1 354.410 0.782 20 30 FCEDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000567537896 491512946 /nfs/dbraw/zinc/51/29/46/491512946.db2.gz ANXPVMHFBGGAPK-DZGCQCFKSA-N 1 1 364.471 0.778 20 30 FCEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000567537896 491512948 /nfs/dbraw/zinc/51/29/48/491512948.db2.gz ANXPVMHFBGGAPK-DZGCQCFKSA-N 1 1 364.471 0.778 20 30 FCEDMO N#Cc1ccsc1NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000568122248 491554812 /nfs/dbraw/zinc/55/48/12/491554812.db2.gz JNRFPRMYBYTVKI-GFCCVEGCSA-N 1 1 363.443 0.262 20 30 FCEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000577567644 491632733 /nfs/dbraw/zinc/63/27/33/491632733.db2.gz 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N#Cc1cccc(CN2CCC(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000602335268 491979940 /nfs/dbraw/zinc/97/99/40/491979940.db2.gz VVWQOIYRZAYZPM-LJQANCHMSA-N 1 1 371.485 0.888 20 30 FCEDMO Cc1cc(NC[C@@]2(C)CCC(=O)N2)c(C#N)c(NC[C@@]2(C)CCC(=O)N2)[nH+]1 ZINC000596261429 491981457 /nfs/dbraw/zinc/98/14/57/491981457.db2.gz UBYOKSVZZNAQPG-RTBURBONSA-N 1 1 370.457 1.423 20 30 FCEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)NC2CCN(CC#N)CC2)CC1 ZINC000613788628 491999699 /nfs/dbraw/zinc/99/96/99/491999699.db2.gz WOCMNFLDSDIGMO-UHFFFAOYSA-N 1 1 350.511 0.690 20 30 FCEDMO CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000602903522 492003797 /nfs/dbraw/zinc/00/37/97/492003797.db2.gz ILZFNVGKJIMDGJ-KRWDZBQOSA-N 1 1 360.458 0.940 20 30 FCEDMO CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000602903522 492003800 /nfs/dbraw/zinc/00/38/00/492003800.db2.gz ILZFNVGKJIMDGJ-KRWDZBQOSA-N 1 1 360.458 0.940 20 30 FCEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597233201 492023660 /nfs/dbraw/zinc/02/36/60/492023660.db2.gz ZMHFCJONWOVBFL-UHFFFAOYSA-N 1 1 372.454 0.590 20 30 FCEDMO C[C@@H]1C[N@@H+](CCN(C)c2ccc(C#N)cc2CS(N)(=O)=O)C[C@H](C)O1 ZINC000603365096 492029157 /nfs/dbraw/zinc/02/91/57/492029157.db2.gz XNQWQQJDAKBUHG-OKILXGFUSA-N 1 1 366.487 0.892 20 30 FCEDMO C[C@@H]1C[N@H+](CCN(C)c2ccc(C#N)cc2CS(N)(=O)=O)C[C@H](C)O1 ZINC000603365096 492029158 /nfs/dbraw/zinc/02/91/58/492029158.db2.gz XNQWQQJDAKBUHG-OKILXGFUSA-N 1 1 366.487 0.892 20 30 FCEDMO N#CCC1(CS(=O)(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000603417632 492031927 /nfs/dbraw/zinc/03/19/27/492031927.db2.gz NFDKQPQKJCTWHR-INIZCTEOSA-N 1 1 370.519 0.396 20 30 FCEDMO N#CCC1(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000603417632 492031929 /nfs/dbraw/zinc/03/19/29/492031929.db2.gz NFDKQPQKJCTWHR-INIZCTEOSA-N 1 1 370.519 0.396 20 30 FCEDMO COCC(=O)NC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000603682060 492039973 /nfs/dbraw/zinc/03/99/73/492039973.db2.gz YLMIVNXJXKWBPI-CQSZACIVSA-N 1 1 350.463 0.945 20 30 FCEDMO N#Cc1cccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000604526674 492062708 /nfs/dbraw/zinc/06/27/08/492062708.db2.gz YANBHPQDHLAXOQ-INIZCTEOSA-N 1 1 362.455 0.661 20 30 FCEDMO N#Cc1cccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000604526674 492062710 /nfs/dbraw/zinc/06/27/10/492062710.db2.gz YANBHPQDHLAXOQ-INIZCTEOSA-N 1 1 362.455 0.661 20 30 FCEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614957972 492066504 /nfs/dbraw/zinc/06/65/04/492066504.db2.gz XOTBBDJGWJVDBV-UHFFFAOYSA-N 1 1 360.414 0.420 20 30 FCEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614957972 492066506 /nfs/dbraw/zinc/06/65/06/492066506.db2.gz XOTBBDJGWJVDBV-UHFFFAOYSA-N 1 1 360.414 0.420 20 30 FCEDMO N#C[C@]1(F)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000615664837 492098552 /nfs/dbraw/zinc/09/85/52/492098552.db2.gz RSYIBYQFPVCIOG-WMLDXEAASA-N 1 1 352.410 0.164 20 30 FCEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(=O)n3nc(N)[nH]c3n2)CC1 ZINC000598586918 492105611 /nfs/dbraw/zinc/10/56/11/492105611.db2.gz GFGALVNBTHBAJV-UHFFFAOYSA-N 1 1 364.413 0.414 20 30 FCEDMO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000599789552 492208286 /nfs/dbraw/zinc/20/82/86/492208286.db2.gz CQHPNRPVNNUDBR-TZMCWYRMSA-N 1 1 366.443 0.560 20 30 FCEDMO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1=O ZINC000609584282 492215218 /nfs/dbraw/zinc/21/52/18/492215218.db2.gz WUQXZMGXEYRFLA-CVEARBPZSA-N 1 1 361.490 0.423 20 30 FCEDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1=O ZINC000609584282 492215220 /nfs/dbraw/zinc/21/52/20/492215220.db2.gz WUQXZMGXEYRFLA-CVEARBPZSA-N 1 1 361.490 0.423 20 30 FCEDMO C[NH+]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000609609771 492215657 /nfs/dbraw/zinc/21/56/57/492215657.db2.gz FFKLKGCPCZAXCD-OAHLLOKOSA-N 1 1 355.398 0.537 20 30 FCEDMO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000609675753 492218467 /nfs/dbraw/zinc/21/84/67/492218467.db2.gz AGKCBUOFVUPUJU-QGZVFWFLSA-N 1 1 372.450 0.924 20 30 FCEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000610477070 492248275 /nfs/dbraw/zinc/24/82/75/492248275.db2.gz FEZCYPXSNMQFAH-HOTGVXAUSA-N 1 1 367.471 0.493 20 30 FCEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)sc2c1CCC2 ZINC000610892803 492266862 /nfs/dbraw/zinc/26/68/62/492266862.db2.gz RYQPLQIONSNJQO-JTQLQIEISA-N 1 1 368.484 0.800 20 30 FCEDMO C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000610906449 492268203 /nfs/dbraw/zinc/26/82/03/492268203.db2.gz GWQLLTAHADCNIX-QMTHXVAHSA-N 1 1 350.806 0.985 20 30 FCEDMO C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000610906449 492268205 /nfs/dbraw/zinc/26/82/05/492268205.db2.gz GWQLLTAHADCNIX-QMTHXVAHSA-N 1 1 350.806 0.985 20 30 FCEDMO CC[N@H+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000611087849 492277685 /nfs/dbraw/zinc/27/76/85/492277685.db2.gz NYECUYVIWOTGGI-ZIAGYGMSSA-N 1 1 364.471 0.778 20 30 FCEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n(CCC#N)n1 ZINC000611365464 492286729 /nfs/dbraw/zinc/28/67/29/492286729.db2.gz UGWHNYFSQNTOCE-GJZGRUSLSA-N 1 1 374.445 0.101 20 30 FCEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000656358252 492612034 /nfs/dbraw/zinc/61/20/34/492612034.db2.gz PZEQQBIOVRCWOQ-OAGGEKHMSA-N 1 1 362.474 0.365 20 30 FCEDMO CC#CCNCc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000640952624 493153446 /nfs/dbraw/zinc/15/34/46/493153446.db2.gz DFGXRULHDYTUMW-UHFFFAOYSA-N 1 1 366.469 0.735 20 30 FCEDMO C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000672580527 493209545 /nfs/dbraw/zinc/20/95/45/493209545.db2.gz FMESLUQBYPAXSB-RHSMWYFYSA-N 1 1 361.442 0.703 20 30 FCEDMO C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000672580527 493209549 /nfs/dbraw/zinc/20/95/49/493209549.db2.gz FMESLUQBYPAXSB-RHSMWYFYSA-N 1 1 361.442 0.703 20 30 FCEDMO C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000668581929 493379148 /nfs/dbraw/zinc/37/91/48/493379148.db2.gz NXUSDFJNSQXODR-IRXDYDNUSA-N 1 1 350.507 0.801 20 30 FCEDMO C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC000669028934 493454017 /nfs/dbraw/zinc/45/40/17/493454017.db2.gz OGYTVPVTYCWWIK-UHFFFAOYSA-N 1 1 361.450 0.638 20 30 FCEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000662947976 493559553 /nfs/dbraw/zinc/55/95/53/493559553.db2.gz DFVXLZYQOIIIRI-CVEARBPZSA-N 1 1 362.474 0.224 20 30 FCEDMO CC[NH+]1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000681341410 493757519 /nfs/dbraw/zinc/75/75/19/493757519.db2.gz ZJZHBBAICSCCFY-QZTJIDSGSA-N 1 1 362.518 0.971 20 30 FCEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000409569193 534131213 /nfs/dbraw/zinc/13/12/13/534131213.db2.gz COKZKONGOPUDLD-DJIMGWMZSA-N 1 1 364.471 0.881 20 30 FCEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000409561415 534290078 /nfs/dbraw/zinc/29/00/78/534290078.db2.gz HBOMYRDYLWGJEG-ZACQAIPSSA-N 1 1 371.551 0.813 20 30 FCEDMO C=CCn1cc(CNC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)nn1 ZINC000425569689 534457704 /nfs/dbraw/zinc/45/77/04/534457704.db2.gz ZLCRIHRUBZWMBZ-ZDUSSCGKSA-N 1 1 350.423 0.243 20 30 FCEDMO C=CCn1cc(CNC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)nn1 ZINC000425569689 534457707 /nfs/dbraw/zinc/45/77/07/534457707.db2.gz ZLCRIHRUBZWMBZ-ZDUSSCGKSA-N 1 1 350.423 0.243 20 30 FCEDMO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419149367 534757825 /nfs/dbraw/zinc/75/78/25/534757825.db2.gz KEJOPZKGATXESC-GJZGRUSLSA-N 1 1 350.463 0.270 20 30 FCEDMO C[NH+]=C(NCCN(C)C(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261665548 526354324 /nfs/dbraw/zinc/35/43/24/526354324.db2.gz BINWHTJHKAVPFY-KRWDZBQOSA-N 1 1 352.483 0.212 20 30 FCEDMO C[NH+]=C(NCCN1CCC[C@@H](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261661515 526355924 /nfs/dbraw/zinc/35/59/24/526355924.db2.gz FXVLKWKMOKCDKQ-OAHLLOKOSA-N 1 1 361.494 0.376 20 30 FCEDMO C[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000262788401 526378780 /nfs/dbraw/zinc/37/87/80/526378780.db2.gz NFNWKXVEMDSRDC-SFHVURJKSA-N 1 1 360.481 0.523 20 30 FCEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1=O ZINC000293766730 526490848 /nfs/dbraw/zinc/49/08/48/526490848.db2.gz RTIYXXRTCUNVKA-AWEZNQCLSA-N 1 1 355.398 0.827 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249553833 526598766 /nfs/dbraw/zinc/59/87/66/526598766.db2.gz IZPUNGDNPNROFN-UZLBHIALSA-N 1 1 374.485 0.956 20 30 FCEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1F ZINC000192482994 526665369 /nfs/dbraw/zinc/66/53/69/526665369.db2.gz YVSHNSHUHUSJHW-OKILXGFUSA-N 1 1 367.446 0.924 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000159101298 526724848 /nfs/dbraw/zinc/72/48/48/526724848.db2.gz CMXDBYMZAQLDBU-OAHLLOKOSA-N 1 1 374.466 0.393 20 30 FCEDMO C#CCC[NH+]1CCN(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000272019410 526728213 /nfs/dbraw/zinc/72/82/13/526728213.db2.gz MHCOAKHHOKUELC-MRXNPFEDSA-N 1 1 374.460 0.760 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)CCCOC)cc1 ZINC000266154746 527050574 /nfs/dbraw/zinc/05/05/74/527050574.db2.gz MDKUZJRHYYRXKA-UHFFFAOYSA-N 1 1 367.471 0.296 20 30 FCEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000266625108 527110591 /nfs/dbraw/zinc/11/05/91/527110591.db2.gz IZJYVXTVARZMPT-CQSZACIVSA-N 1 1 363.389 0.613 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245561252 528337865 /nfs/dbraw/zinc/33/78/65/528337865.db2.gz NVKHAPZHUNJGOV-FGTMMUONSA-N 1 1 365.522 0.066 20 30 FCEDMO CCN(CCC#N)S(=O)(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000409504417 528389191 /nfs/dbraw/zinc/38/91/91/528389191.db2.gz VOLRLSPITMAWED-IAGOWNOFSA-N 1 1 366.487 0.692 20 30 FCEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000409491233 528638181 /nfs/dbraw/zinc/63/81/81/528638181.db2.gz NQOITWUSVNQWGQ-UONOGXRCSA-N 1 1 360.480 0.282 20 30 FCEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000409491233 528638186 /nfs/dbraw/zinc/63/81/86/528638186.db2.gz NQOITWUSVNQWGQ-UONOGXRCSA-N 1 1 360.480 0.282 20 30 FCEDMO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000410131743 528643344 /nfs/dbraw/zinc/64/33/44/528643344.db2.gz ABSJGUCXFJVOSZ-HOTGVXAUSA-N 1 1 359.540 0.574 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000374723089 528710887 /nfs/dbraw/zinc/71/08/87/528710887.db2.gz YFOUBLYOQGPRAK-CYBMUJFWSA-N 1 1 354.480 0.705 20 30 FCEDMO CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)N[C@H]1CCCN(c2ncccn2)C1 ZINC000179039282 528813078 /nfs/dbraw/zinc/81/30/78/528813078.db2.gz ZNSUXEOLHPZDPS-DLBZAZTESA-N 1 1 372.521 0.000 20 30 FCEDMO CC[NH+]=C(NC[C@H]1CN2CCN1CC2)N1CCN(c2ccccn2)CC1 ZINC000262813272 528814326 /nfs/dbraw/zinc/81/43/26/528814326.db2.gz VXFDPPLZFGRKOP-KRWDZBQOSA-N 1 1 357.506 0.169 20 30 FCEDMO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245561254 528900508 /nfs/dbraw/zinc/90/05/08/528900508.db2.gz NVKHAPZHUNJGOV-SQNIBIBYSA-N 1 1 365.522 0.066 20 30 FCEDMO CC[NH+]1CCN(C(=O)CC2CCN(S(=O)(=O)CCCC#N)CC2)CC1 ZINC000111342266 529123422 /nfs/dbraw/zinc/12/34/22/529123422.db2.gz MQAHXEHQLQFJNX-UHFFFAOYSA-N 1 1 370.519 0.886 20 30 FCEDMO COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592145332 546612574 /nfs/dbraw/zinc/61/25/74/546612574.db2.gz SZCGFFLZNDSWKO-YJBOKZPZSA-N 1 1 350.415 0.932 20 30 FCEDMO COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000551551756 547152757 /nfs/dbraw/zinc/15/27/57/547152757.db2.gz MTVXVNHYLSJNDP-HZPDHXFCSA-N 1 1 368.459 0.357 20 30 FCEDMO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000553312150 547269877 /nfs/dbraw/zinc/26/98/77/547269877.db2.gz WDQOIYVIKGEHJA-LBPRGKRZSA-N 1 1 368.459 0.599 20 30 FCEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(C#N)cs2)CC1=O ZINC000552349520 547325985 /nfs/dbraw/zinc/32/59/85/547325985.db2.gz FCWRYOXTNCFDDV-ZDUSSCGKSA-N 1 1 350.444 0.529 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001021175177 663260897 /nfs/dbraw/zinc/26/08/97/663260897.db2.gz LFKYPYARALGAGC-SOUVJXGZSA-N 1 1 358.467 0.914 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001021175177 663260898 /nfs/dbraw/zinc/26/08/98/663260898.db2.gz LFKYPYARALGAGC-SOUVJXGZSA-N 1 1 358.467 0.914 20 30 FCEDMO C[N@@H+](CCO)CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000899738639 665960222 /nfs/dbraw/zinc/96/02/22/665960222.db2.gz JSTCIMYUMYGZOE-UHFFFAOYSA-N 1 1 356.220 0.740 20 30 FCEDMO COc1cc(C#N)ccc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000934231125 663481049 /nfs/dbraw/zinc/48/10/49/663481049.db2.gz MOQXWAGJFFYCSW-AWEZNQCLSA-N 1 1 365.455 0.758 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001022937391 663547196 /nfs/dbraw/zinc/54/71/96/663547196.db2.gz UPCGXAITNIVEBY-QLFBSQMISA-N 1 1 361.467 0.456 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2C)C1 ZINC001022937391 663547198 /nfs/dbraw/zinc/54/71/98/663547198.db2.gz UPCGXAITNIVEBY-QLFBSQMISA-N 1 1 361.467 0.456 20 30 FCEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001025687642 664170465 /nfs/dbraw/zinc/17/04/65/664170465.db2.gz XBCOEGPRDFOSAW-MRVWCRGKSA-N 1 1 357.882 0.795 20 30 FCEDMO N#Cc1csc(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000893054113 664202087 /nfs/dbraw/zinc/20/20/87/664202087.db2.gz UQNGSYLNFQZOGN-ZDUSSCGKSA-N 1 1 364.475 0.220 20 30 FCEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001058729285 664251341 /nfs/dbraw/zinc/25/13/41/664251341.db2.gz FPUVAWQLWSYXJS-RKVPGOIHSA-N 1 1 355.479 0.245 20 30 FCEDMO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001058729285 664251342 /nfs/dbraw/zinc/25/13/42/664251342.db2.gz FPUVAWQLWSYXJS-RKVPGOIHSA-N 1 1 355.479 0.245 20 30 FCEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 ZINC000978287281 664434193 /nfs/dbraw/zinc/43/41/93/664434193.db2.gz BOFYOMXYPCUJOX-YHQUGGNUSA-N 1 1 359.264 0.993 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2csnn2)C1 ZINC000981794111 664840559 /nfs/dbraw/zinc/84/05/59/664840559.db2.gz SIIZHTMVOBYKDY-GUTXKFCHSA-N 1 1 361.471 0.650 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2csnn2)C1 ZINC000981794111 664840563 /nfs/dbraw/zinc/84/05/63/664840563.db2.gz SIIZHTMVOBYKDY-GUTXKFCHSA-N 1 1 361.471 0.650 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2snnc2C)[C@@H]1C ZINC000988738633 665307975 /nfs/dbraw/zinc/30/79/75/665307975.db2.gz REOYUCKWNBINGG-RDBSUJKOSA-N 1 1 361.471 0.663 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2snnc2C)[C@@H]1C ZINC000988738633 665307980 /nfs/dbraw/zinc/30/79/80/665307980.db2.gz REOYUCKWNBINGG-RDBSUJKOSA-N 1 1 361.471 0.663 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000992027981 666614285 /nfs/dbraw/zinc/61/42/85/666614285.db2.gz WKBWYPNZEJOPFP-RDJZCZTQSA-N 1 1 351.447 0.017 20 30 FCEDMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)CC1 ZINC000913924311 666668647 /nfs/dbraw/zinc/66/86/47/666668647.db2.gz PDQODRCEUUIAGD-UHFFFAOYSA-N 1 1 356.492 0.352 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000992596999 666690804 /nfs/dbraw/zinc/69/08/04/666690804.db2.gz DXXYBDIDCFOWNT-JYJNAYRXSA-N 1 1 351.447 0.015 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000992596999 666690807 /nfs/dbraw/zinc/69/08/07/666690807.db2.gz DXXYBDIDCFOWNT-JYJNAYRXSA-N 1 1 351.447 0.015 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000730786682 666784708 /nfs/dbraw/zinc/78/47/08/666784708.db2.gz HZRIRIFGUOBQCM-OAHLLOKOSA-N 1 1 365.455 0.049 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000923598517 666994748 /nfs/dbraw/zinc/99/47/48/666994748.db2.gz KSFLOTNQMVQRPT-CYBMUJFWSA-N 1 1 352.232 0.825 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(Br)cc2=O)C1 ZINC000923598517 666994750 /nfs/dbraw/zinc/99/47/50/666994750.db2.gz KSFLOTNQMVQRPT-CYBMUJFWSA-N 1 1 352.232 0.825 20 30 FCEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000919305674 667167085 /nfs/dbraw/zinc/16/70/85/667167085.db2.gz UTHXPBMWHMUZKD-UHFFFAOYSA-N 1 1 368.434 0.233 20 30 FCEDMO N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CCO1 ZINC000919342152 667169796 /nfs/dbraw/zinc/16/97/96/667169796.db2.gz WRDQLQWCOPMFIB-YESZJQIVSA-N 1 1 362.455 0.414 20 30 FCEDMO N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CCO1 ZINC000919342152 667169799 /nfs/dbraw/zinc/16/97/99/667169799.db2.gz WRDQLQWCOPMFIB-YESZJQIVSA-N 1 1 362.455 0.414 20 30 FCEDMO C[NH+]1CCN(c2ncc(C=NNS(=O)(=O)c3ccccc3)cn2)CC1 ZINC000755472315 667634508 /nfs/dbraw/zinc/63/45/08/667634508.db2.gz QDALRSJECKQGBV-UHFFFAOYSA-N 1 1 360.443 0.541 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923554740 667848241 /nfs/dbraw/zinc/84/82/41/667848241.db2.gz KVDURQMAXLVESK-CYBMUJFWSA-N 1 1 367.496 0.640 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 ZINC000923554740 667848244 /nfs/dbraw/zinc/84/82/44/667848244.db2.gz KVDURQMAXLVESK-CYBMUJFWSA-N 1 1 367.496 0.640 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CNS(=O)(=O)CC)cc2)C1 ZINC000923575418 667850053 /nfs/dbraw/zinc/85/00/53/667850053.db2.gz CPGONNQVOADMDE-QGZVFWFLSA-N 1 1 363.483 0.953 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CNS(=O)(=O)CC)cc2)C1 ZINC000923575418 667850056 /nfs/dbraw/zinc/85/00/56/667850056.db2.gz CPGONNQVOADMDE-QGZVFWFLSA-N 1 1 363.483 0.953 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)C1 ZINC000923584317 667851000 /nfs/dbraw/zinc/85/10/00/667851000.db2.gz WJBHNWSYGAZCHT-CHWSQXEVSA-N 1 1 355.485 0.629 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)C1 ZINC000923584317 667851005 /nfs/dbraw/zinc/85/10/05/667851005.db2.gz WJBHNWSYGAZCHT-CHWSQXEVSA-N 1 1 355.485 0.629 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1 ZINC000923585173 667854913 /nfs/dbraw/zinc/85/49/13/667854913.db2.gz VEYFBLPVVMDELN-JKQORVJESA-N 1 1 364.515 0.926 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C1 ZINC000923585173 667854918 /nfs/dbraw/zinc/85/49/18/667854918.db2.gz VEYFBLPVVMDELN-JKQORVJESA-N 1 1 364.515 0.926 20 30 FCEDMO C#C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)[C@H]1CCCO1 ZINC000838555830 667941508 /nfs/dbraw/zinc/94/15/08/667941508.db2.gz IQSXAYSKSQFLTF-JKSUJKDBSA-N 1 1 351.447 0.348 20 30 FCEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000763805462 667963644 /nfs/dbraw/zinc/96/36/44/667963644.db2.gz GCPFHVVCWKHHSD-UHFFFAOYSA-N 1 1 374.825 0.844 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000764025073 667970464 /nfs/dbraw/zinc/97/04/64/667970464.db2.gz RCQXSXLYMVYWPX-KRWDZBQOSA-N 1 1 361.467 0.940 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000764025073 667970466 /nfs/dbraw/zinc/97/04/66/667970466.db2.gz RCQXSXLYMVYWPX-KRWDZBQOSA-N 1 1 361.467 0.940 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC000962142162 674866460 /nfs/dbraw/zinc/86/64/60/674866460.db2.gz OUBZSWUHBBWUTD-PMPSAXMXSA-N 1 1 361.467 0.456 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cscc2C)[C@@H](O)C1 ZINC000962142162 674866463 /nfs/dbraw/zinc/86/64/63/674866463.db2.gz OUBZSWUHBBWUTD-PMPSAXMXSA-N 1 1 361.467 0.456 20 30 FCEDMO C[C@@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[N@H+]1C ZINC000741725043 668022900 /nfs/dbraw/zinc/02/29/00/668022900.db2.gz QVRRCGTVFMQARN-CHWSQXEVSA-N 1 1 364.471 0.714 20 30 FCEDMO C[C@H](CC(=O)N1CCC[N@@H+](C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742473054 668035973 /nfs/dbraw/zinc/03/59/73/668035973.db2.gz UFMWOBMPZWVEAE-CYBMUJFWSA-N 1 1 364.471 0.668 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1 ZINC000744425601 668059734 /nfs/dbraw/zinc/05/97/34/668059734.db2.gz VDMAWFCHBMSMCY-HLLBOEOZSA-N 1 1 364.515 0.880 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000770235649 668181670 /nfs/dbraw/zinc/18/16/70/668181670.db2.gz MTVKCZCTFIQHIA-BBRMVZONSA-N 1 1 365.455 0.047 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000770235649 668181671 /nfs/dbraw/zinc/18/16/71/668181671.db2.gz MTVKCZCTFIQHIA-BBRMVZONSA-N 1 1 365.455 0.047 20 30 FCEDMO C#C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000775801928 668231271 /nfs/dbraw/zinc/23/12/71/668231271.db2.gz ZRWDBMYYJDDDOE-YESZJQIVSA-N 1 1 368.499 0.715 20 30 FCEDMO Cc1[nH+]ccn1CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000772003967 668286132 /nfs/dbraw/zinc/28/61/32/668286132.db2.gz XDYIWEVAJWTAMV-GFCCVEGCSA-N 1 1 362.411 0.973 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001130204849 1201540374 /nfs/dbraw/zinc/54/03/74/1201540374.db2.gz MTYKUJOEDAOYDF-KBPBESRZSA-N 1 1 355.402 0.583 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1 ZINC001130204843 1201540400 /nfs/dbraw/zinc/54/04/00/1201540400.db2.gz MOXFCZXMCUCILM-MIVXPEEVSA-N 1 1 368.441 0.948 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)cc(C)n2)[nH]1 ZINC001130220527 1201543739 /nfs/dbraw/zinc/54/37/39/1201543739.db2.gz BOELQSGTHUKRSD-HOCLYGCPSA-N 1 1 368.441 0.842 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)cc(C)n2)n[nH]1 ZINC001130220527 1201543743 /nfs/dbraw/zinc/54/37/43/1201543743.db2.gz BOELQSGTHUKRSD-HOCLYGCPSA-N 1 1 368.441 0.842 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccncc2C)[nH]1 ZINC001130212966 1201544914 /nfs/dbraw/zinc/54/49/14/1201544914.db2.gz NBBXKXKRQMNPGH-HOTGVXAUSA-N 1 1 368.441 0.462 20 30 FCEDMO C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)(C)C)n1 ZINC001130212821 1201545219 /nfs/dbraw/zinc/54/52/19/1201545219.db2.gz FRAWNPWIUYMZKR-RDBSUJKOSA-N 1 1 363.462 0.313 20 30 FCEDMO C[C@@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)(C)C)n[nH]1 ZINC001130212821 1201545222 /nfs/dbraw/zinc/54/52/22/1201545222.db2.gz FRAWNPWIUYMZKR-RDBSUJKOSA-N 1 1 363.462 0.313 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OCC)C2CC2)[nH]1 ZINC001130213067 1201545246 /nfs/dbraw/zinc/54/52/46/1201545246.db2.gz RWVZDYNBJGXWEE-OFQRWUPVSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)(C)C)n1 ZINC001130213242 1201545368 /nfs/dbraw/zinc/54/53/68/1201545368.db2.gz VQNWOCUZVYPUIW-GJZGRUSLSA-N 1 1 357.458 0.956 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)(C)C)n[nH]1 ZINC001130213242 1201545369 /nfs/dbraw/zinc/54/53/69/1201545369.db2.gz VQNWOCUZVYPUIW-GJZGRUSLSA-N 1 1 357.458 0.956 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cccnc2)n1 ZINC001130200407 1201547806 /nfs/dbraw/zinc/54/78/06/1201547806.db2.gz KNDFZBBOSBCFEM-HOTGVXAUSA-N 1 1 368.441 0.544 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cccnc2)n[nH]1 ZINC001130200407 1201547809 /nfs/dbraw/zinc/54/78/09/1201547809.db2.gz KNDFZBBOSBCFEM-HOTGVXAUSA-N 1 1 368.441 0.544 20 30 FCEDMO CC(C)OCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130202543 1201548509 /nfs/dbraw/zinc/54/85/09/1201548509.db2.gz BLLVIKRYZBZVTJ-RDBSUJKOSA-N 1 1 364.450 0.468 20 30 FCEDMO CC(C)OCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130202543 1201548513 /nfs/dbraw/zinc/54/85/13/1201548513.db2.gz BLLVIKRYZBZVTJ-RDBSUJKOSA-N 1 1 364.450 0.468 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cc(C)cn2)[nH]1 ZINC001130200909 1201548694 /nfs/dbraw/zinc/54/86/94/1201548694.db2.gz ZTMNKDQIYXJWCA-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cccnc2)n1 ZINC001130200794 1201549084 /nfs/dbraw/zinc/54/90/84/1201549084.db2.gz WZACJTBREIVNAH-GJZGRUSLSA-N 1 1 356.430 0.707 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cccnc2)n[nH]1 ZINC001130200794 1201549085 /nfs/dbraw/zinc/54/90/85/1201549085.db2.gz WZACJTBREIVNAH-GJZGRUSLSA-N 1 1 356.430 0.707 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2CC)[nH]1 ZINC001130239932 1201549675 /nfs/dbraw/zinc/54/96/75/1201549675.db2.gz DHITWCSCJYUHBM-KBPBESRZSA-N 1 1 357.414 0.985 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(F)c[nH]2)[nH]1 ZINC001130225095 1201554050 /nfs/dbraw/zinc/55/40/50/1201554050.db2.gz RZXTXGXDWWFOFP-JSGCOSHPSA-N 1 1 360.393 0.687 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](COC)OC)n1 ZINC001130240140 1201555747 /nfs/dbraw/zinc/55/57/47/1201555747.db2.gz KFBQBGMUNLWZFW-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](COC)OC)n[nH]1 ZINC001130240140 1201555753 /nfs/dbraw/zinc/55/57/53/1201555753.db2.gz KFBQBGMUNLWZFW-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](COC)OC)n1 ZINC001130240141 1201556266 /nfs/dbraw/zinc/55/62/66/1201556266.db2.gz KFBQBGMUNLWZFW-MELADBBJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](COC)OC)n[nH]1 ZINC001130240141 1201556277 /nfs/dbraw/zinc/55/62/77/1201556277.db2.gz KFBQBGMUNLWZFW-MELADBBJSA-N 1 1 367.450 0.121 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)n2C)n1 ZINC001130232202 1201557423 /nfs/dbraw/zinc/55/74/23/1201557423.db2.gz CMHCAYZWPFPXAT-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)n2C)n[nH]1 ZINC001130232202 1201557427 /nfs/dbraw/zinc/55/74/27/1201557427.db2.gz CMHCAYZWPFPXAT-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(=O)cc2C)[nH]1 ZINC001130235216 1201559486 /nfs/dbraw/zinc/55/94/86/1201559486.db2.gz ZEVHXFXQXPXDDD-JSGCOSHPSA-N 1 1 370.413 0.239 20 30 FCEDMO C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[nH]1 ZINC001130237842 1201559750 /nfs/dbraw/zinc/55/97/50/1201559750.db2.gz GBWXFWSASXYBTI-AGIUHOORSA-N 1 1 364.450 0.113 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccc(C)n2)[nH]1 ZINC001130237783 1201560679 /nfs/dbraw/zinc/56/06/79/1201560679.db2.gz DPGIRXASMFVUQN-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CC)c2C)[nH]1 ZINC001130242271 1201562816 /nfs/dbraw/zinc/56/28/16/1201562816.db2.gz PARSFPURKFNNLV-ZFWWWQNUSA-N 1 1 371.445 0.355 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(CC)c2C)n[nH]1 ZINC001130242271 1201562820 /nfs/dbraw/zinc/56/28/20/1201562820.db2.gz PARSFPURKFNNLV-ZFWWWQNUSA-N 1 1 371.445 0.355 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 ZINC001130246406 1201566442 /nfs/dbraw/zinc/56/64/42/1201566442.db2.gz JXTKYVRGPZIJKW-AAEUAGOBSA-N 1 1 361.406 0.546 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnon2)n[nH]1 ZINC001130246406 1201566444 /nfs/dbraw/zinc/56/64/44/1201566444.db2.gz JXTKYVRGPZIJKW-AAEUAGOBSA-N 1 1 361.406 0.546 20 30 FCEDMO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001130307489 1201582389 /nfs/dbraw/zinc/58/23/89/1201582389.db2.gz RWAAKGAPOIFRCQ-APWZRJJASA-N 1 1 363.506 0.717 20 30 FCEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O ZINC001090484735 1201591616 /nfs/dbraw/zinc/59/16/16/1201591616.db2.gz IZDZAWDFZWNVHI-HUUCEWRRSA-N 1 1 369.429 0.424 20 30 FCEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001220026311 1224732126 /nfs/dbraw/zinc/73/21/26/1224732126.db2.gz JAIKFTPYKJIYFJ-CVEARBPZSA-N 1 1 358.446 0.885 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001130583561 1202722996 /nfs/dbraw/zinc/72/29/96/1202722996.db2.gz GFXLTEWRCMDRTD-YQQAZPJKSA-N 1 1 369.473 0.853 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001130622117 1202734388 /nfs/dbraw/zinc/73/43/88/1202734388.db2.gz QNPBMZQHDDABLF-FUHWJXTLSA-N 1 1 355.486 0.956 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3C)n[nH]2)O1 ZINC001130762013 1202778206 /nfs/dbraw/zinc/77/82/06/1202778206.db2.gz LQBXHWNHWXDPCW-GXTWGEPZSA-N 1 1 357.418 0.301 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(CC)n[nH]3)n[nH]2)O1 ZINC001130757806 1202780581 /nfs/dbraw/zinc/78/05/81/1202780581.db2.gz HHOWWVJPVWGCKE-DZGCQCFKSA-N 1 1 371.445 0.853 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCCO3)n[nH]2)O1 ZINC001130775223 1202782814 /nfs/dbraw/zinc/78/28/14/1202782814.db2.gz PQTGIEQGXNRVMZ-RRFJBIMHSA-N 1 1 361.446 0.823 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@](C)(O)C3CC3)n[nH]2)O1 ZINC001130775370 1202783880 /nfs/dbraw/zinc/78/38/80/1202783880.db2.gz SNCDZNXCEWQLFR-PMUMKWKESA-N 1 1 363.462 0.968 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OC)n[nH]2)O1 ZINC001130765203 1202783896 /nfs/dbraw/zinc/78/38/96/1202783896.db2.gz HDTNSMGXQYLLKD-HZSPNIEDSA-N 1 1 367.450 0.468 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3F)n[nH]2)O1 ZINC001130769596 1202786597 /nfs/dbraw/zinc/78/65/97/1202786597.db2.gz LHBXSMZWMNBGPX-SMDDNHRTSA-N 1 1 358.377 0.712 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccc3C)n[nH]2)O1 ZINC001130772472 1202787632 /nfs/dbraw/zinc/78/76/32/1202787632.db2.gz ONKCHUVKHGCFRA-DZGCQCFKSA-N 1 1 354.414 0.881 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccncc3C)n[nH]2)O1 ZINC001130785275 1202788888 /nfs/dbraw/zinc/78/88/88/1202788888.db2.gz JAHHRUPPRKRLCK-JKSUJKDBSA-N 1 1 368.441 0.810 20 30 FCEDMO 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C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnn3C)n[nH]2)O1 ZINC001130781122 1202792964 /nfs/dbraw/zinc/79/29/64/1202792964.db2.gz PFFDXHPQWBSPKG-WCQYABFASA-N 1 1 360.422 0.249 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000806912355 1202793549 /nfs/dbraw/zinc/79/35/49/1202793549.db2.gz FUWHKMIGKSRFJG-MRXNPFEDSA-N 1 1 373.453 0.924 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000806912355 1202793555 /nfs/dbraw/zinc/79/35/55/1202793555.db2.gz FUWHKMIGKSRFJG-MRXNPFEDSA-N 1 1 373.453 0.924 20 30 FCEDMO CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)C)n[nH]2)O1 ZINC001130782763 1202793777 /nfs/dbraw/zinc/79/37/77/1202793777.db2.gz CBVIDTOALFWZEK-LSDHHAIUSA-N 1 1 363.462 0.927 20 30 FCEDMO COC[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)C)n[nH]2)O1 ZINC001130783171 1202794530 /nfs/dbraw/zinc/79/45/30/1202794530.db2.gz NNBBOWCIDCTAKV-SOUVJXGZSA-N 1 1 363.462 0.925 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3ccnc3)n[nH]2)O1 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C=CCCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1O ZINC001199308271 1208335864 /nfs/dbraw/zinc/33/58/64/1208335864.db2.gz QPQWAVGHNJKNKG-ARFHVFGLSA-N 1 1 362.426 0.580 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001199313710 1208336455 /nfs/dbraw/zinc/33/64/55/1208336455.db2.gz LWRYTCAOXSCGMW-FSPWUOQZSA-N 1 1 361.442 0.897 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)C[C@H]1O ZINC001199313710 1208336458 /nfs/dbraw/zinc/33/64/58/1208336458.db2.gz LWRYTCAOXSCGMW-FSPWUOQZSA-N 1 1 361.442 0.897 20 30 FCEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnc3)C2)c1 ZINC001199353073 1208339419 /nfs/dbraw/zinc/33/94/19/1208339419.db2.gz AEBFYMQEARPFTA-QZTJIDSGSA-N 1 1 353.426 0.896 20 30 FCEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCn3ccnc3)C2)c1 ZINC001199353073 1208339424 /nfs/dbraw/zinc/33/94/24/1208339424.db2.gz AEBFYMQEARPFTA-QZTJIDSGSA-N 1 1 353.426 0.896 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1 ZINC001199575558 1208362654 /nfs/dbraw/zinc/36/26/54/1208362654.db2.gz WZYHQKVWOMKTON-HZPDHXFCSA-N 1 1 361.442 0.606 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(=O)Nc2c(C)cccc2C)C1 ZINC001199575558 1208362658 /nfs/dbraw/zinc/36/26/58/1208362658.db2.gz WZYHQKVWOMKTON-HZPDHXFCSA-N 1 1 361.442 0.606 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001110551385 1208394055 /nfs/dbraw/zinc/39/40/55/1208394055.db2.gz XECTYPJGAQMWNU-ZJPYXAASSA-N 1 1 359.470 0.901 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001110551385 1208394059 /nfs/dbraw/zinc/39/40/59/1208394059.db2.gz XECTYPJGAQMWNU-ZJPYXAASSA-N 1 1 359.470 0.901 20 30 FCEDMO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C4=NNC(=O)CC4)[C@@H]3C2)cc1C#N ZINC001273824689 1208397749 /nfs/dbraw/zinc/39/77/49/1208397749.db2.gz QVPUNMZLAQPYLE-XJKSGUPXSA-N 1 1 354.414 0.195 20 30 FCEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCc2ccc(C(N)=O)cc2)[C@H]1C ZINC001691702549 1208420011 /nfs/dbraw/zinc/42/00/11/1208420011.db2.gz VVINPVHUKFSEJJ-QAPCUYQASA-N 1 1 357.454 0.947 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1c(C)nn(C)c1C)C2 ZINC001110570335 1208465200 /nfs/dbraw/zinc/46/52/00/1208465200.db2.gz FCEBRJOSYVOPEQ-ZACQAIPSSA-N 1 1 360.458 0.787 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1c(C)nn(C)c1C)C2 ZINC001110570335 1208465203 /nfs/dbraw/zinc/46/52/03/1208465203.db2.gz FCEBRJOSYVOPEQ-ZACQAIPSSA-N 1 1 360.458 0.787 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]cnc31)C2 ZINC001110578695 1208487290 /nfs/dbraw/zinc/48/72/90/1208487290.db2.gz TZJIZQDLJGIFRI-NCZKRNLISA-N 1 1 366.425 0.431 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]cnc31)C2 ZINC001110578695 1208487293 /nfs/dbraw/zinc/48/72/93/1208487293.db2.gz TZJIZQDLJGIFRI-NCZKRNLISA-N 1 1 366.425 0.431 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCCC1)C2 ZINC001110586122 1208519589 /nfs/dbraw/zinc/51/95/89/1208519589.db2.gz OKXVERNMEOSDQX-DZUCGIPZSA-N 1 1 374.485 0.152 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)C1CCCC1)C2 ZINC001110586122 1208519597 /nfs/dbraw/zinc/51/95/97/1208519597.db2.gz OKXVERNMEOSDQX-DZUCGIPZSA-N 1 1 374.485 0.152 20 30 FCEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CCOCCCC)C[C@@H]1O ZINC001220787038 1225073586 /nfs/dbraw/zinc/07/35/86/1225073586.db2.gz SLQPEIAMUZYNHP-SJORKVTESA-N 1 1 361.442 0.685 20 30 FCEDMO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CCOCCCC)C[C@@H]1O ZINC001220787038 1225073596 /nfs/dbraw/zinc/07/35/96/1225073596.db2.gz SLQPEIAMUZYNHP-SJORKVTESA-N 1 1 361.442 0.685 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn(C)c1C)C2 ZINC001110606164 1209039169 /nfs/dbraw/zinc/03/91/69/1209039169.db2.gz ZLCZZQCENGUWOE-HPBDAGMYSA-N 1 1 371.485 0.521 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cnn(C)c1C)C2 ZINC001110606164 1209039172 /nfs/dbraw/zinc/03/91/72/1209039172.db2.gz ZLCZZQCENGUWOE-HPBDAGMYSA-N 1 1 371.485 0.521 20 30 FCEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@H]2O)CCOCC1 ZINC001220871733 1225118376 /nfs/dbraw/zinc/11/83/76/1225118376.db2.gz USVMUMWBDWYSMT-SJORKVTESA-N 1 1 362.474 0.497 20 30 FCEDMO COCC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110621601 1209456010 /nfs/dbraw/zinc/45/60/10/1209456010.db2.gz KBVOMRIELCODPP-KURKYZTESA-N 1 1 370.453 0.932 20 30 FCEDMO COCC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110621601 1209456012 /nfs/dbraw/zinc/45/60/12/1209456012.db2.gz KBVOMRIELCODPP-KURKYZTESA-N 1 1 370.453 0.932 20 30 FCEDMO C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC001110629497 1209499663 /nfs/dbraw/zinc/49/96/63/1209499663.db2.gz BQPNMZARQSQVLF-SJORKVTESA-N 1 1 369.469 0.899 20 30 FCEDMO Cc1nsc(N2CC[NH+](C[C@@](O)(C(N)=O)c3ccccc3)CC2)c1C#N ZINC000852061249 1209530108 /nfs/dbraw/zinc/53/01/08/1209530108.db2.gz LFACJZYTZRIQHK-SFHVURJKSA-N 1 1 371.466 0.818 20 30 FCEDMO C#CCN1CCN(C(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000852308118 1209542588 /nfs/dbraw/zinc/54/25/88/1209542588.db2.gz VOIVLUUNTHGMKB-UHFFFAOYSA-N 1 1 366.506 0.999 20 30 FCEDMO C#CCN1CCN(C(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000852308118 1209542602 /nfs/dbraw/zinc/54/26/02/1209542602.db2.gz VOIVLUUNTHGMKB-UHFFFAOYSA-N 1 1 366.506 0.999 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C3CC3)cnn1C)C2 ZINC001110648176 1209545805 /nfs/dbraw/zinc/54/58/05/1209545805.db2.gz ZCTNLQMJUTZBHM-JFOHDYCDSA-N 1 1 369.469 0.771 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C3CC3)cnn1C)C2 ZINC001110648176 1209545812 /nfs/dbraw/zinc/54/58/12/1209545812.db2.gz ZCTNLQMJUTZBHM-JFOHDYCDSA-N 1 1 369.469 0.771 20 30 FCEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001110662390 1209587084 /nfs/dbraw/zinc/58/70/84/1209587084.db2.gz NNPHIXQEAJMMEX-BDXSIMOUSA-N 1 1 361.490 0.737 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c(=O)c1)C2 ZINC001110695776 1209656880 /nfs/dbraw/zinc/65/68/80/1209656880.db2.gz LQRZGOUQWHWQRK-OAGGEKHMSA-N 1 1 371.441 0.718 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[nH]c(=O)c1)C2 ZINC001110695776 1209656883 /nfs/dbraw/zinc/65/68/83/1209656883.db2.gz LQRZGOUQWHWQRK-OAGGEKHMSA-N 1 1 371.441 0.718 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001110704087 1209689738 /nfs/dbraw/zinc/68/97/38/1209689738.db2.gz BGGOQBNAWSGGTJ-BHTHQVBYSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001110704087 1209689741 /nfs/dbraw/zinc/68/97/41/1209689741.db2.gz BGGOQBNAWSGGTJ-BHTHQVBYSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)[C@@H](O)C1 ZINC001220944543 1225151909 /nfs/dbraw/zinc/15/19/09/1225151909.db2.gz SCEVDFQGIZESCL-OIISXLGYSA-N 1 1 365.474 0.141 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1cc[nH]c(=O)c1)C2 ZINC001110719328 1209746051 /nfs/dbraw/zinc/74/60/51/1209746051.db2.gz ONDJUULIZZCBNT-ZACQAIPSSA-N 1 1 359.426 0.675 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCc1cc[nH]c(=O)c1)C2 ZINC001110719328 1209746058 /nfs/dbraw/zinc/74/60/58/1209746058.db2.gz ONDJUULIZZCBNT-ZACQAIPSSA-N 1 1 359.426 0.675 20 30 FCEDMO C#CCN(CC(=O)NCC(=O)N1CC[NH+](CC)CC1)C(=O)OC(C)(C)C ZINC000857268734 1209749068 /nfs/dbraw/zinc/74/90/68/1209749068.db2.gz SCMPVDLFVRFELY-UHFFFAOYSA-N 1 1 366.462 0.137 20 30 FCEDMO C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001110754727 1209801043 /nfs/dbraw/zinc/80/10/43/1209801043.db2.gz ZWBQHVAGHYKRJO-BDXSIMOUSA-N 1 1 360.502 0.578 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)nn1C)C2 ZINC001110803480 1209871062 /nfs/dbraw/zinc/87/10/62/1209871062.db2.gz XMWBOTRTBIGEPW-ABFRBSLYSA-N 1 1 359.474 0.683 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)nn1C)C2 ZINC001110803480 1209871063 /nfs/dbraw/zinc/87/10/63/1209871063.db2.gz XMWBOTRTBIGEPW-ABFRBSLYSA-N 1 1 359.474 0.683 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1=O ZINC000120263702 1209966546 /nfs/dbraw/zinc/96/65/46/1209966546.db2.gz XYHNYMYJVOIMBZ-QGZVFWFLSA-N 1 1 368.437 0.991 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1=O ZINC000120263702 1209966547 /nfs/dbraw/zinc/96/65/47/1209966547.db2.gz XYHNYMYJVOIMBZ-QGZVFWFLSA-N 1 1 368.437 0.991 20 30 FCEDMO C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C[NH+]1CCOCC1 ZINC000872928171 1210222281 /nfs/dbraw/zinc/22/22/81/1210222281.db2.gz DWBAVCQNJAGLIR-INIZCTEOSA-N 1 1 372.473 0.753 20 30 FCEDMO 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C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2COc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001070087828 1219158358 /nfs/dbraw/zinc/15/83/58/1219158358.db2.gz MOJKUYJWCLKCDU-RVKKMQEKSA-N 1 1 367.409 0.483 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092765 1219163322 /nfs/dbraw/zinc/16/33/22/1219163322.db2.gz RIWKEQINWOMOQY-CVEARBPZSA-N 1 1 360.462 0.598 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092765 1219163325 /nfs/dbraw/zinc/16/33/25/1219163325.db2.gz RIWKEQINWOMOQY-CVEARBPZSA-N 1 1 360.462 0.598 20 30 FCEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093861 1219163871 /nfs/dbraw/zinc/16/38/71/1219163871.db2.gz KPJBPBDPMHJEAG-CVEARBPZSA-N 1 1 356.430 0.448 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]c2=O)CCC3)[C@@H](n2ccnn2)C1 ZINC001070094943 1219165083 /nfs/dbraw/zinc/16/50/83/1219165083.db2.gz MSOJFSIZQFIMRF-SJORKVTESA-N 1 1 366.425 0.546 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H](n2ccnn2)C1 ZINC001070099898 1219173223 /nfs/dbraw/zinc/17/32/23/1219173223.db2.gz UYPLNKQVTDHLCU-CVEARBPZSA-N 1 1 354.414 0.479 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C(=O)NC)c2)[C@@H](n2ccnn2)C1 ZINC001070099898 1219173226 /nfs/dbraw/zinc/17/32/26/1219173226.db2.gz UYPLNKQVTDHLCU-CVEARBPZSA-N 1 1 354.414 0.479 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)[C@@H](n2ccnn2)C1 ZINC001070101575 1219174963 /nfs/dbraw/zinc/17/49/63/1219174963.db2.gz ICFJDEUBKQXGMA-IKGGRYGDSA-N 1 1 369.400 0.786 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)[C@@H](n2ccnn2)C1 ZINC001070101575 1219174965 /nfs/dbraw/zinc/17/49/65/1219174965.db2.gz ICFJDEUBKQXGMA-IKGGRYGDSA-N 1 1 369.400 0.786 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001070108071 1219181814 /nfs/dbraw/zinc/18/18/14/1219181814.db2.gz HACGCPABNUJLCX-SJORKVTESA-N 1 1 355.446 0.971 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001070108071 1219181817 /nfs/dbraw/zinc/18/18/17/1219181817.db2.gz HACGCPABNUJLCX-SJORKVTESA-N 1 1 355.446 0.971 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@@H](n2ccnn2)C1 ZINC001070111757 1219186276 /nfs/dbraw/zinc/18/62/76/1219186276.db2.gz XYGWXEQAMYYWQX-CABCVRRESA-N 1 1 366.381 0.804 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]c(=O)oc32)[C@@H](n2ccnn2)C1 ZINC001070111757 1219186280 /nfs/dbraw/zinc/18/62/80/1219186280.db2.gz XYGWXEQAMYYWQX-CABCVRRESA-N 1 1 366.381 0.804 20 30 FCEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H](n2ccnn2)C1 ZINC001070127896 1219201064 /nfs/dbraw/zinc/20/10/64/1219201064.db2.gz QVHIAFIXNZGLKA-CABCVRRESA-N 1 1 355.402 0.003 20 30 FCEDMO C=CCCOCC(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCOCC1 ZINC001070133655 1219209934 /nfs/dbraw/zinc/20/99/34/1219209934.db2.gz JMIFJZUYBAWKQT-HZPDHXFCSA-N 1 1 367.490 0.701 20 30 FCEDMO COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070159677 1219247077 /nfs/dbraw/zinc/24/70/77/1219247077.db2.gz NDNUKGSYLVJIRL-CFVMTHIKSA-N 1 1 355.402 0.383 20 30 FCEDMO CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)o1 ZINC001070160942 1219249538 /nfs/dbraw/zinc/24/95/38/1219249538.db2.gz NHIHLKYDPQFGEQ-BNOWGMLFSA-N 1 1 357.418 0.838 20 30 FCEDMO O=C(C#CC1CC1)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070192950 1219285059 /nfs/dbraw/zinc/28/50/59/1219285059.db2.gz XZMUMRAGHQPEIK-SJORKVTESA-N 1 1 354.389 0.767 20 30 FCEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001070265404 1219333400 /nfs/dbraw/zinc/33/34/00/1219333400.db2.gz FQTKXHQNMLPRAZ-HLLBOEOZSA-N 1 1 358.450 0.551 20 30 FCEDMO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)[C@@H](n3ccnn3)C2)CC1 ZINC001070266509 1219334456 /nfs/dbraw/zinc/33/44/56/1219334456.db2.gz HEMYKJRGDGFIFU-SJORKVTESA-N 1 1 370.461 0.695 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001070277863 1219344483 /nfs/dbraw/zinc/34/44/83/1219344483.db2.gz BICZHTXUTFGXFT-WCVJEAGWSA-N 1 1 374.470 0.867 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC)[nH]1 ZINC001070354416 1219390929 /nfs/dbraw/zinc/39/09/29/1219390929.db2.gz IIWMPDOIZKPXIM-KKUMJFAQSA-N 1 1 360.462 0.001 20 30 FCEDMO CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382883 1219407671 /nfs/dbraw/zinc/40/76/71/1219407671.db2.gz XAHURQLMMWOGHS-SCTDSRPQSA-N 1 1 360.502 0.437 20 30 FCEDMO C=C(C)C[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@H]2c1nnc(C)[nH]1 ZINC001070446281 1219412809 /nfs/dbraw/zinc/41/28/09/1219412809.db2.gz YFUGGEYUWNRYIQ-DOXZYTNZSA-N 1 1 357.458 0.954 20 30 FCEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cn(C)cn1 ZINC001070476709 1219427476 /nfs/dbraw/zinc/42/74/76/1219427476.db2.gz WKBHNCYTHBYELC-KCQAQPDRSA-N 1 1 356.434 0.275 20 30 FCEDMO C[C@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1)c1nncn1C ZINC001070491758 1219436778 /nfs/dbraw/zinc/43/67/78/1219436778.db2.gz DNALDTZPAYZCNP-JLJPHGGASA-N 1 1 367.457 0.607 20 30 FCEDMO C[C@@H]([NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cn(C)cn1)c1nnnn1C ZINC001070492067 1219437240 /nfs/dbraw/zinc/43/72/40/1219437240.db2.gz PKHMNEYRKROTFT-IVMMDQJWSA-N 1 1 368.445 0.002 20 30 FCEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2cnn(C)n2)c1 ZINC001070491842 1219437331 /nfs/dbraw/zinc/43/73/31/1219437331.db2.gz IFSVCCANVDERQO-DOTOQJQBSA-N 1 1 353.430 0.046 20 30 FCEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1C[C@@H](c3cn(C)cn3)[C@H](NCC#N)C1)C2 ZINC001070534698 1219457368 /nfs/dbraw/zinc/45/73/68/1219457368.db2.gz JPCKZBWEBLRQRR-UWWQBHOKSA-N 1 1 367.457 0.595 20 30 FCEDMO C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070585386 1219477394 /nfs/dbraw/zinc/47/73/94/1219477394.db2.gz ZDXBLKSQKFXAHN-RBSFLKMASA-N 1 1 362.478 0.711 20 30 FCEDMO C=C(C)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001070585386 1219477398 /nfs/dbraw/zinc/47/73/98/1219477398.db2.gz ZDXBLKSQKFXAHN-RBSFLKMASA-N 1 1 362.478 0.711 20 30 FCEDMO C=C(C)CN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001070585386 1219477401 /nfs/dbraw/zinc/47/74/01/1219477401.db2.gz ZDXBLKSQKFXAHN-RBSFLKMASA-N 1 1 362.478 0.711 20 30 FCEDMO C=C(C)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001070585386 1219477404 /nfs/dbraw/zinc/47/74/04/1219477404.db2.gz ZDXBLKSQKFXAHN-RBSFLKMASA-N 1 1 362.478 0.711 20 30 FCEDMO C=C(C)CN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001070585386 1219477406 /nfs/dbraw/zinc/47/74/06/1219477406.db2.gz ZDXBLKSQKFXAHN-RBSFLKMASA-N 1 1 362.478 0.711 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2nc([C@@H]3COCCN3CC#N)n[nH]2)CC[N@H+]1C ZINC001070586723 1219478484 /nfs/dbraw/zinc/47/84/84/1219478484.db2.gz PIGNDTCHLGHLNH-MJBXVCDLSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@@H]3COCCN3CC#N)n2)CC[N@@H+]1C ZINC001070586723 1219478486 /nfs/dbraw/zinc/47/84/86/1219478486.db2.gz PIGNDTCHLGHLNH-MJBXVCDLSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@@H]3COCCN3CC#N)n2)CC[N@H+]1C ZINC001070586723 1219478489 /nfs/dbraw/zinc/47/84/89/1219478489.db2.gz PIGNDTCHLGHLNH-MJBXVCDLSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@@H]3COCCN3CC#N)[nH]2)CC[N@@H+]1C ZINC001070586723 1219478491 /nfs/dbraw/zinc/47/84/91/1219478491.db2.gz PIGNDTCHLGHLNH-MJBXVCDLSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@@H]3COCCN3CC#N)[nH]2)CC[N@H+]1C ZINC001070586723 1219478494 /nfs/dbraw/zinc/47/84/94/1219478494.db2.gz PIGNDTCHLGHLNH-MJBXVCDLSA-N 1 1 361.450 0.048 20 30 FCEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)n1 ZINC001070630293 1219495062 /nfs/dbraw/zinc/49/50/62/1219495062.db2.gz KVDGWBXVRAGOHL-BPLDGKMQSA-N 1 1 356.434 0.275 20 30 FCEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)n1C ZINC001070630522 1219495712 /nfs/dbraw/zinc/49/57/12/1219495712.db2.gz UQASTRIRRAOZPJ-MGPQQGTHSA-N 1 1 370.461 0.355 20 30 FCEDMO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cncn2C)nn1C ZINC001070648045 1219506494 /nfs/dbraw/zinc/50/64/94/1219506494.db2.gz QBRZDWPXBXZTKD-QZTJIDSGSA-N 1 1 366.469 0.960 20 30 FCEDMO C=CC(C)(C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001070676547 1219520164 /nfs/dbraw/zinc/52/01/64/1219520164.db2.gz DLKBDOBIABPCGT-HUUCEWRRSA-N 1 1 357.462 0.845 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cncn1C ZINC001070708574 1219536621 /nfs/dbraw/zinc/53/66/21/1219536621.db2.gz VQJPRMSXMIBVCP-CKEIUWERSA-N 1 1 352.442 0.466 20 30 FCEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001070900752 1219552257 /nfs/dbraw/zinc/55/22/57/1219552257.db2.gz WSZBXVHNQMVUOD-OIISXLGYSA-N 1 1 354.410 0.824 20 30 FCEDMO 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FCEDMO Cc1nnc(CN2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)[nH]1 ZINC000599342164 492162580 /nfs/dbraw/zinc/16/25/80/492162580.db2.gz WYLATAAONCNBQB-INIZCTEOSA-N 1 1 356.430 0.542 20 30 FCEDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000599452753 492174441 /nfs/dbraw/zinc/17/44/41/492174441.db2.gz WIZXSHYYOWQMIY-UONOGXRCSA-N 1 1 356.378 0.142 20 30 FCEDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000599452753 492174443 /nfs/dbraw/zinc/17/44/43/492174443.db2.gz WIZXSHYYOWQMIY-UONOGXRCSA-N 1 1 356.378 0.142 20 30 FCEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000608869241 492194837 /nfs/dbraw/zinc/19/48/37/492194837.db2.gz YYSCKSJSFPZJBZ-UONOGXRCSA-N 1 1 371.507 0.223 20 30 FCEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000608869241 492194839 /nfs/dbraw/zinc/19/48/39/492194839.db2.gz YYSCKSJSFPZJBZ-UONOGXRCSA-N 1 1 371.507 0.223 20 30 FCEDMO CN1CC[NH+](CCCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000609160665 492199282 /nfs/dbraw/zinc/19/92/82/492199282.db2.gz LLHGLTPBAVKHOV-UHFFFAOYSA-N 1 1 367.457 0.693 20 30 FCEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000609635948 492217059 /nfs/dbraw/zinc/21/70/59/492217059.db2.gz ZSJOEOGPSFQZCN-DLBZAZTESA-N 1 1 358.442 0.982 20 30 FCEDMO N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@@H](O)C4)C3)cc2)c1N ZINC000599938557 492219407 /nfs/dbraw/zinc/21/94/07/492219407.db2.gz PSUNSIVBUVMGAZ-IAGOWNOFSA-N 1 1 366.425 0.607 20 30 FCEDMO COc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(F)cc1C#N ZINC000599956081 492222313 /nfs/dbraw/zinc/22/23/13/492222313.db2.gz MKKVETGVXHVBON-MEBBXXQBSA-N 1 1 364.377 0.480 20 30 FCEDMO COc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(F)cc1C#N ZINC000599956081 492222314 /nfs/dbraw/zinc/22/23/14/492222314.db2.gz MKKVETGVXHVBON-MEBBXXQBSA-N 1 1 364.377 0.480 20 30 FCEDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599966989 492224161 /nfs/dbraw/zinc/22/41/61/492224161.db2.gz QUFYJJOUQXTRLY-UHFFFAOYSA-N 1 1 352.366 0.075 20 30 FCEDMO N#CCc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000600030709 492234000 /nfs/dbraw/zinc/23/40/00/492234000.db2.gz UTJOAPOXIBNUKT-HNNXBMFYSA-N 1 1 357.414 0.147 20 30 FCEDMO N#CCN1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000610163777 492236870 /nfs/dbraw/zinc/23/68/70/492236870.db2.gz FBNBHNMUNQQGSU-FQEVSTJZSA-N 1 1 371.485 0.911 20 30 FCEDMO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1C#N ZINC000600070529 492241258 /nfs/dbraw/zinc/24/12/58/492241258.db2.gz KIWMCRRFMHFECP-OAHLLOKOSA-N 1 1 360.414 0.467 20 30 FCEDMO CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1C#N ZINC000600098856 492244680 /nfs/dbraw/zinc/24/46/80/492244680.db2.gz KIWMCRRFMHFECP-HNNXBMFYSA-N 1 1 360.414 0.467 20 30 FCEDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000611303553 492284973 /nfs/dbraw/zinc/28/49/73/492284973.db2.gz VQLNHMZPMWPHBG-WBVHZDCISA-N 1 1 367.471 0.506 20 30 FCEDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000611303553 492284975 /nfs/dbraw/zinc/28/49/75/492284975.db2.gz VQLNHMZPMWPHBG-WBVHZDCISA-N 1 1 367.471 0.506 20 30 FCEDMO CN(c1ccc(C#N)nn1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000611571918 492290488 /nfs/dbraw/zinc/29/04/88/492290488.db2.gz WUVCUKXAYMCYJT-UHFFFAOYSA-N 1 1 357.462 0.023 20 30 FCEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000625536381 492814426 /nfs/dbraw/zinc/81/44/26/492814426.db2.gz CPCJSIUQXIPANM-PBHICJAKSA-N 1 1 351.406 0.887 20 30 FCEDMO C=CCCNC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000658387909 492869758 /nfs/dbraw/zinc/86/97/58/492869758.db2.gz KFDSWAPZYPDJHD-UHFFFAOYSA-N 1 1 374.441 0.714 20 30 FCEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000661377724 493431520 /nfs/dbraw/zinc/43/15/20/493431520.db2.gz SIVNEAIFPNDYAB-SJORKVTESA-N 1 1 369.531 0.606 20 30 FCEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000661377724 493431523 /nfs/dbraw/zinc/43/15/23/493431523.db2.gz SIVNEAIFPNDYAB-SJORKVTESA-N 1 1 369.531 0.606 20 30 FCEDMO C=CCn1c(-c2cn(C)nn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000669035475 493455603 /nfs/dbraw/zinc/45/56/03/493455603.db2.gz FARDTWJSWYNWQH-AWEZNQCLSA-N 1 1 372.477 0.949 20 30 FCEDMO COCCn1c(N)c(C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000663580075 493601064 /nfs/dbraw/zinc/60/10/64/493601064.db2.gz ZUVJOHCCXQEVRX-LLVKDONJSA-N 1 1 371.397 0.583 20 30 FCEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000409569194 534135655 /nfs/dbraw/zinc/13/56/55/534135655.db2.gz COKZKONGOPUDLD-HYVNUMGLSA-N 1 1 364.471 0.881 20 30 FCEDMO C=CCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000419923970 534799968 /nfs/dbraw/zinc/79/99/68/534799968.db2.gz MGUFKEOPBZQQIT-HNNXBMFYSA-N 1 1 358.446 0.875 20 30 FCEDMO C=CCNC(=O)NC(=O)CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301125 526585963 /nfs/dbraw/zinc/58/59/63/526585963.db2.gz CBVKKGUSSJAAJJ-LJQANCHMSA-N 1 1 360.458 0.567 20 30 FCEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000266676985 526645995 /nfs/dbraw/zinc/64/59/95/526645995.db2.gz SGRBBBLXHYQLHU-MRXNPFEDSA-N 1 1 374.441 0.378 20 30 FCEDMO C#CCC[NH+]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000127273852 526728563 /nfs/dbraw/zinc/72/85/63/526728563.db2.gz BZCYCOCGXHTZKM-UHFFFAOYSA-N 1 1 370.497 0.985 20 30 FCEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000127266833 526729190 /nfs/dbraw/zinc/72/91/90/526729190.db2.gz TWQNNQXFWWWQHQ-AWEZNQCLSA-N 1 1 364.471 0.302 20 30 FCEDMO C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000377477974 526958996 /nfs/dbraw/zinc/95/89/96/526958996.db2.gz WEMOWTPLKLKTCE-UHFFFAOYSA-N 1 1 368.437 0.559 20 30 FCEDMO C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000377477974 526959001 /nfs/dbraw/zinc/95/90/01/526959001.db2.gz WEMOWTPLKLKTCE-UHFFFAOYSA-N 1 1 368.437 0.559 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375837346 527019741 /nfs/dbraw/zinc/01/97/41/527019741.db2.gz GLHVZZFWPQOQCN-CVEARBPZSA-N 1 1 364.490 0.751 20 30 FCEDMO C#CCOc1ccccc1NC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000187301705 527131039 /nfs/dbraw/zinc/13/10/39/527131039.db2.gz KGKLBZUMYBPAEC-UHFFFAOYSA-N 1 1 372.469 0.779 20 30 FCEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000330934230 527826113 /nfs/dbraw/zinc/82/61/13/527826113.db2.gz HSDCKTSAKYLOII-GJZGRUSLSA-N 1 1 360.524 0.988 20 30 FCEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000268278312 528020822 /nfs/dbraw/zinc/02/08/22/528020822.db2.gz XRDCZOYZOIJAJO-HYEKCJMVSA-N 1 1 363.462 0.790 20 30 FCEDMO CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H]1CC ZINC000410432306 528730961 /nfs/dbraw/zinc/73/09/61/528730961.db2.gz JAVKFEDFYCRNIZ-MRXNPFEDSA-N 1 1 350.463 0.708 20 30 FCEDMO CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@H]1CC ZINC000410432306 528730963 /nfs/dbraw/zinc/73/09/63/528730963.db2.gz JAVKFEDFYCRNIZ-MRXNPFEDSA-N 1 1 350.463 0.708 20 30 FCEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000412394780 529287254 /nfs/dbraw/zinc/28/72/54/529287254.db2.gz GKZQSKDJEZJZIR-HNNXBMFYSA-N 1 1 364.471 0.779 20 30 FCEDMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(Cc3cc(C)no3)CC2)C1 ZINC000329565448 546558186 /nfs/dbraw/zinc/55/81/86/546558186.db2.gz HHMQMYIZSHWSRU-OAHLLOKOSA-N 1 1 351.451 0.735 20 30 FCEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000329974925 546576130 /nfs/dbraw/zinc/57/61/30/546576130.db2.gz XTWMVBGNOUUPIH-IKGGRYGDSA-N 1 1 354.495 0.315 20 30 FCEDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(C#N)CCCCC2)CC1=O ZINC000552351615 547202840 /nfs/dbraw/zinc/20/28/40/547202840.db2.gz ZXBXJONSQXHYGG-HNNXBMFYSA-N 1 1 350.463 0.756 20 30 FCEDMO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000552504289 547212919 /nfs/dbraw/zinc/21/29/19/547212919.db2.gz RDLHMGKQIPSVGQ-CQSZACIVSA-N 1 1 355.504 0.734 20 30 FCEDMO C[NH+](C)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(F)cc1 ZINC000553547435 547287966 /nfs/dbraw/zinc/28/79/66/547287966.db2.gz FMOUTRMBRYYOGH-CABCVRRESA-N 1 1 356.423 0.487 20 30 FCEDMO C=CC[N@H+](CCC(=O)NCC(=O)OC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418921 598621160 /nfs/dbraw/zinc/62/11/60/598621160.db2.gz LSPDMISALPMNJE-UHFFFAOYSA-N 1 1 358.402 0.534 20 30 FCEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000825399557 608033985 /nfs/dbraw/zinc/03/39/85/608033985.db2.gz XUTHAFOAGRIBSX-NSHDSACASA-N 1 1 374.453 0.045 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CCCN(c2cc(Cl)nc(COCC)n2)CC1 ZINC000892515617 664009888 /nfs/dbraw/zinc/00/98/88/664009888.db2.gz URONDHHYHUWRHJ-UHFFFAOYSA-N 1 1 365.865 0.928 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(Cl)nc(COCC)n2)CC1 ZINC000892515617 664009891 /nfs/dbraw/zinc/00/98/91/664009891.db2.gz URONDHHYHUWRHJ-UHFFFAOYSA-N 1 1 365.865 0.928 20 30 FCEDMO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCC#CCO)CC1 ZINC000923787087 664037699 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ZINC001109544067 1200376996 /nfs/dbraw/zinc/37/69/96/1200376996.db2.gz YZRQLXPAPHORQD-WCZJQEMASA-N 1 1 371.485 0.384 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCc1c[nH]nn1)C2 ZINC001109556247 1200379805 /nfs/dbraw/zinc/37/98/05/1200379805.db2.gz SHOSLOCJDWPPCH-ORQFMDKSSA-N 1 1 372.473 0.377 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCc1c[nH]nn1)C2 ZINC001109556247 1200379817 /nfs/dbraw/zinc/37/98/17/1200379817.db2.gz SHOSLOCJDWPPCH-ORQFMDKSSA-N 1 1 372.473 0.377 20 30 FCEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c(=O)[nH]c(C)cn3n1)C2 ZINC001109560658 1200385186 /nfs/dbraw/zinc/38/51/86/1200385186.db2.gz LMIJRMLRIAGDQG-YCPHGPKFSA-N 1 1 371.441 0.869 20 30 FCEDMO C#C[C@H](C)[N@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000769975723 1200387913 /nfs/dbraw/zinc/38/79/13/1200387913.db2.gz KGFZUKRDCAWGAT-MAUKXSAKSA-N 1 1 371.437 0.451 20 30 FCEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000769975723 1200387926 /nfs/dbraw/zinc/38/79/26/1200387926.db2.gz KGFZUKRDCAWGAT-MAUKXSAKSA-N 1 1 371.437 0.451 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001109578043 1200399720 /nfs/dbraw/zinc/39/97/20/1200399720.db2.gz GRMVOFZEOBFICY-IKGGRYGDSA-N 1 1 359.474 0.914 20 30 FCEDMO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1nc(C)cc1C)C2 ZINC001109578043 1200399725 /nfs/dbraw/zinc/39/97/25/1200399725.db2.gz GRMVOFZEOBFICY-IKGGRYGDSA-N 1 1 359.474 0.914 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)C2 ZINC001109586413 1200407313 /nfs/dbraw/zinc/40/73/13/1200407313.db2.gz XVHOJEYMJVRRFF-RDBSUJKOSA-N 1 1 359.430 0.436 20 30 FCEDMO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)C2 ZINC001109586413 1200407321 /nfs/dbraw/zinc/40/73/21/1200407321.db2.gz XVHOJEYMJVRRFF-RDBSUJKOSA-N 1 1 359.430 0.436 20 30 FCEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n(C)c(=O)n1C ZINC001109590796 1200412278 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OCC2CC2)n[nH]1 ZINC001130190995 1201530745 /nfs/dbraw/zinc/53/07/45/1201530745.db2.gz YBQSTJJBROFALL-QEJZJMRPSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](CC)C(N)=O)[nH]1 ZINC001130193388 1201531740 /nfs/dbraw/zinc/53/17/40/1201531740.db2.gz VGZJMRIQEXJWIP-AVGNSLFASA-N 1 1 364.450 0.113 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001130196239 1201532357 /nfs/dbraw/zinc/53/23/57/1201532357.db2.gz YRIGOPODEAIONN-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001130196239 1201532361 /nfs/dbraw/zinc/53/23/61/1201532361.db2.gz YRIGOPODEAIONN-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccc2C)[nH]1 ZINC001130195877 1201532845 /nfs/dbraw/zinc/53/28/45/1201532845.db2.gz GZFKJDLYDPJBPT-HOCLYGCPSA-N 1 1 368.441 0.924 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnn(CC)c2)n1 ZINC001130196035 1201533167 /nfs/dbraw/zinc/53/31/67/1201533167.db2.gz OQOYHBIJGBOABI-KBPBESRZSA-N 1 1 359.434 0.599 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(CC)c2)n[nH]1 ZINC001130196035 1201533169 /nfs/dbraw/zinc/53/31/69/1201533169.db2.gz OQOYHBIJGBOABI-KBPBESRZSA-N 1 1 359.434 0.599 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(C)nc2C)n1 ZINC001130198502 1201533720 /nfs/dbraw/zinc/53/37/20/1201533720.db2.gz NIGPHRDGNGTQHU-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(C)nc2C)n[nH]1 ZINC001130198502 1201533723 /nfs/dbraw/zinc/53/37/23/1201533723.db2.gz NIGPHRDGNGTQHU-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(=O)C(C)(C)C)[nH]1 ZINC001130198663 1201534716 /nfs/dbraw/zinc/53/47/16/1201534716.db2.gz UCMVMBGRGUXZJZ-STQMWFEESA-N 1 1 361.446 0.522 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CCOC2)n1 ZINC001130198691 1201535083 /nfs/dbraw/zinc/53/50/83/1201535083.db2.gz VTNJNOAGPCUUAF-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CCOC2)n[nH]1 ZINC001130198691 1201535087 /nfs/dbraw/zinc/53/50/87/1201535087.db2.gz VTNJNOAGPCUUAF-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(CC)n[nH]2)n1 ZINC001130184555 1201537566 /nfs/dbraw/zinc/53/75/66/1201537566.db2.gz AZCVKBKMUSUGND-JSGCOSHPSA-N 1 1 359.434 0.668 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(CC)n[nH]2)n[nH]1 ZINC001130184555 1201537571 /nfs/dbraw/zinc/53/75/71/1201537571.db2.gz AZCVKBKMUSUGND-JSGCOSHPSA-N 1 1 359.434 0.668 20 30 FCEDMO CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1 ZINC001130185075 1201538003 /nfs/dbraw/zinc/53/80/03/1201538003.db2.gz VWWCMGVNXLNQHT-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(CC)n2)n1 ZINC001130205149 1201540583 /nfs/dbraw/zinc/54/05/83/1201540583.db2.gz SCAMHGWLDAGMOH-AAEUAGOBSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(CC)n2)n[nH]1 ZINC001130205149 1201540588 /nfs/dbraw/zinc/54/05/88/1201540588.db2.gz SCAMHGWLDAGMOH-AAEUAGOBSA-N 1 1 360.418 0.933 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(COC)CC2)[nH]1 ZINC001130207622 1201541869 /nfs/dbraw/zinc/54/18/69/1201541869.db2.gz JISMHJWHOZZHBO-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCOCC2)[nH]1 ZINC001130207608 1201542213 /nfs/dbraw/zinc/54/22/13/1201542213.db2.gz IWWCFIUPLROYOX-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC2CC2)[nH]1 ZINC001130207562 1201542355 /nfs/dbraw/zinc/54/23/55/1201542355.db2.gz GMHCFUVRVIHCRC-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n[nH]1 ZINC001130209883 1201543627 /nfs/dbraw/zinc/54/36/27/1201543627.db2.gz PLFHOGTYTPVYDU-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n1 ZINC001130209883 1201543631 /nfs/dbraw/zinc/54/36/31/1201543631.db2.gz PLFHOGTYTPVYDU-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CC)o2)[nH]1 ZINC001130220525 1201544440 /nfs/dbraw/zinc/54/44/40/1201544440.db2.gz BKPGWJBQSLKDNF-ZFWWWQNUSA-N 1 1 357.414 0.985 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(CC)o2)n[nH]1 ZINC001130220525 1201544443 /nfs/dbraw/zinc/54/44/43/1201544443.db2.gz BKPGWJBQSLKDNF-ZFWWWQNUSA-N 1 1 357.414 0.985 20 30 FCEDMO CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212934 1201544777 /nfs/dbraw/zinc/54/47/77/1201544777.db2.gz LIIUNVQZXXEKNL-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212934 1201544781 /nfs/dbraw/zinc/54/47/81/1201544781.db2.gz LIIUNVQZXXEKNL-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccc2)[nH]1 ZINC001130200798 1201548684 /nfs/dbraw/zinc/54/86/84/1201548684.db2.gz WZCQIDRQVCLFEZ-JYJNAYRXSA-N 1 1 370.457 0.969 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[nH]1 ZINC001130220698 1201550455 /nfs/dbraw/zinc/55/04/55/1201550455.db2.gz JIZBUFVQRJHRRJ-HOTGVXAUSA-N 1 1 353.426 0.759 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2CC)[nH]1 ZINC001130222943 1201552627 /nfs/dbraw/zinc/55/26/27/1201552627.db2.gz JFWYPIFYNHIHQK-HOTGVXAUSA-N 1 1 368.441 0.787 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2C)[nH]1 ZINC001130225096 1201553741 /nfs/dbraw/zinc/55/37/41/1201553741.db2.gz SBUJWKUFRNOOGT-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]nc2C)n1 ZINC001130225018 1201554182 /nfs/dbraw/zinc/55/41/82/1201554182.db2.gz NWGZQBDSAZQNEZ-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]nc2C)n[nH]1 ZINC001130225018 1201554184 /nfs/dbraw/zinc/55/41/84/1201554184.db2.gz NWGZQBDSAZQNEZ-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C)n1 ZINC001130225017 1201554368 /nfs/dbraw/zinc/55/43/68/1201554368.db2.gz NTXZQMAIWHACMY-BARDWOONSA-N 1 1 363.462 0.742 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C)n[nH]1 ZINC001130225017 1201554370 /nfs/dbraw/zinc/55/43/70/1201554370.db2.gz NTXZQMAIWHACMY-BARDWOONSA-N 1 1 363.462 0.742 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[nH]1 ZINC001130232229 1201557434 /nfs/dbraw/zinc/55/74/34/1201557434.db2.gz DODFYBYTJKXKIS-GJZGRUSLSA-N 1 1 354.414 0.533 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(CC)n2)[nH]1 ZINC001130242061 1201561994 /nfs/dbraw/zinc/56/19/94/1201561994.db2.gz CLZFYQHUXQKQCT-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)Cc2ccco2)[nH]1 ZINC001130242294 1201562426 /nfs/dbraw/zinc/56/24/26/1201562426.db2.gz QAVITZLTBDCHFL-BPUTZDHNSA-N 1 1 371.441 0.988 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnn2)[nH]1 ZINC001130242237 1201563097 /nfs/dbraw/zinc/56/30/97/1201563097.db2.gz NLIQMNJWTRWPLQ-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[nH]1 ZINC001130244252 1201563578 /nfs/dbraw/zinc/56/35/78/1201563578.db2.gz FRCXHFZEYQFWLI-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)n2cccn2)[nH]1 ZINC001130247075 1201567579 /nfs/dbraw/zinc/56/75/79/1201567579.db2.gz SXWIHKCZNSXNLR-ILXRZTDVSA-N 1 1 371.445 0.364 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCn2cccc2)[nH]1 ZINC001130251321 1201569997 /nfs/dbraw/zinc/56/99/97/1201569997.db2.gz NIIVNMLOEZPLSS-HOTGVXAUSA-N 1 1 370.457 0.798 20 30 FCEDMO C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130251509 1201570174 /nfs/dbraw/zinc/57/01/74/1201570174.db2.gz YKYFQJRYMZNQPO-RDBSUJKOSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130251509 1201570176 /nfs/dbraw/zinc/57/01/76/1201570176.db2.gz YKYFQJRYMZNQPO-RDBSUJKOSA-N 1 1 369.441 0.834 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[nH]1 ZINC001130253763 1201571121 /nfs/dbraw/zinc/57/11/21/1201571121.db2.gz OLNPSKMFIWZYII-SOBDKHKFSA-N 1 1 369.469 0.808 20 30 FCEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130293545 1201579554 /nfs/dbraw/zinc/57/95/54/1201579554.db2.gz ZKLDQOYAOATQID-KDOFPFPSSA-N 1 1 364.490 0.549 20 30 FCEDMO 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REGSYTAPQAXVLD-CHWSQXEVSA-N 1 1 363.380 0.837 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCNC(=O)NC(C)C)C[C@H]21 ZINC001114858525 846555493 /nfs/dbraw/zinc/55/54/93/846555493.db2.gz CCYDAZBAOLWTAK-OWYFMNJBSA-N 1 1 350.463 0.332 20 30 FCEDMO Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)s1 ZINC001114947640 846556647 /nfs/dbraw/zinc/55/66/47/846556647.db2.gz NVWSBHWDXOHLBX-MAKQCAJESA-N 1 1 358.467 0.846 20 30 FCEDMO Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)s1 ZINC001114947640 846556655 /nfs/dbraw/zinc/55/66/55/846556655.db2.gz NVWSBHWDXOHLBX-MAKQCAJESA-N 1 1 358.467 0.846 20 30 FCEDMO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC[N@@H+]1CC(C)(C)O ZINC001118512677 847456434 /nfs/dbraw/zinc/45/64/34/847456434.db2.gz FTNNSRFTOKMRTK-GJZGRUSLSA-N 1 1 350.463 0.442 20 30 FCEDMO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC[N@H+]1CC(C)(C)O ZINC001118512677 847456437 /nfs/dbraw/zinc/45/64/37/847456437.db2.gz FTNNSRFTOKMRTK-GJZGRUSLSA-N 1 1 350.463 0.442 20 30 FCEDMO C=C(C)CN1C[C@]2(CC1=O)COCCN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001277246569 861802826 /nfs/dbraw/zinc/80/28/26/861802826.db2.gz AOMZKFYEFVABTP-GOSISDBHSA-N 1 1 350.463 0.481 20 30 FCEDMO CCC[N@H+]1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001118791138 847582794 /nfs/dbraw/zinc/58/27/94/847582794.db2.gz YGIOWTHHXYBDRQ-GFCCVEGCSA-N 1 1 350.444 0.326 20 30 FCEDMO C#CCSCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC001119417200 847837798 /nfs/dbraw/zinc/83/77/98/847837798.db2.gz MKTWBPCHXUIVJM-MRXNPFEDSA-N 1 1 361.467 0.651 20 30 FCEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F ZINC001120485265 848218132 /nfs/dbraw/zinc/21/81/32/848218132.db2.gz LLCZWBLLEVNAKD-JTQLQIEISA-N 1 1 363.361 0.989 20 30 FCEDMO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC001120704578 848272036 /nfs/dbraw/zinc/27/20/36/848272036.db2.gz DRFZJXKFXMABKO-CYBMUJFWSA-N 1 1 353.419 0.888 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001121580376 848371934 /nfs/dbraw/zinc/37/19/34/848371934.db2.gz ADBNNWCVWZFOTL-UONOGXRCSA-N 1 1 368.507 0.749 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001121580376 848371942 /nfs/dbraw/zinc/37/19/42/848371942.db2.gz ADBNNWCVWZFOTL-UONOGXRCSA-N 1 1 368.507 0.749 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001128812306 848774680 /nfs/dbraw/zinc/77/46/80/848774680.db2.gz VAQCCWCKRIIWAC-OLZOCXBDSA-N 1 1 359.377 0.104 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOCC(F)F)C[C@@H]1n1ccnn1 ZINC001128812306 848774689 /nfs/dbraw/zinc/77/46/89/848774689.db2.gz VAQCCWCKRIIWAC-OLZOCXBDSA-N 1 1 359.377 0.104 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCCOC)[C@@H](n2ccnn2)C1 ZINC001128834004 848778431 /nfs/dbraw/zinc/77/84/31/848778431.db2.gz GZQUCTPUOYPVGE-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C(Cl)CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052475 848801203 /nfs/dbraw/zinc/80/12/03/848801203.db2.gz GRKJNPZGMCWTRI-CABCVRRESA-N 1 1 352.870 0.856 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCOCCCOC)[C@@H](n2ccnn2)C1 ZINC001129380844 848836206 /nfs/dbraw/zinc/83/62/06/848836206.db2.gz FSLHTSNPHMHYNT-CVEARBPZSA-N 1 1 351.451 0.639 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCOCCCOC)[C@@H](n2ccnn2)C1 ZINC001129380844 848836213 /nfs/dbraw/zinc/83/62/13/848836213.db2.gz FSLHTSNPHMHYNT-CVEARBPZSA-N 1 1 351.451 0.639 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130121668 848947686 /nfs/dbraw/zinc/94/76/86/848947686.db2.gz YCBCCQWLJMNRQL-OLZOCXBDSA-N 1 1 368.869 0.534 20 30 FCEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 ZINC001130172997 848956026 /nfs/dbraw/zinc/95/60/26/848956026.db2.gz AIDLZMJVLXBMHF-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130172997 848956031 /nfs/dbraw/zinc/95/60/31/848956031.db2.gz AIDLZMJVLXBMHF-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCO2)[nH]1 ZINC001130181406 848960803 /nfs/dbraw/zinc/96/08/03/848960803.db2.gz GQFAJVFBIHRDQJ-XQQFMLRXSA-N 1 1 369.853 0.815 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 ZINC001130190649 848967577 /nfs/dbraw/zinc/96/75/77/848967577.db2.gz JINKHOPGGKDATD-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OC)n[nH]1 ZINC001130190649 848967580 /nfs/dbraw/zinc/96/75/80/848967580.db2.gz JINKHOPGGKDATD-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCC)n1 ZINC001130190502 848967740 /nfs/dbraw/zinc/96/77/40/848967740.db2.gz BTHAAGATUOWHRF-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCC)n[nH]1 ZINC001130190502 848967744 /nfs/dbraw/zinc/96/77/44/848967744.db2.gz BTHAAGATUOWHRF-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO N#CCSCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130190851 848969469 /nfs/dbraw/zinc/96/94/69/848969469.db2.gz PYXDJTSIXANXEZ-RYUDHWBXSA-N 1 1 370.454 0.499 20 30 FCEDMO N#CCSCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130190851 848969474 /nfs/dbraw/zinc/96/94/74/848969474.db2.gz PYXDJTSIXANXEZ-RYUDHWBXSA-N 1 1 370.454 0.499 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CSC)n1 ZINC001130192902 848969641 /nfs/dbraw/zinc/96/96/41/848969641.db2.gz ACLNQTUQELBHIY-RDBSUJKOSA-N 1 1 365.503 0.905 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CSC)n[nH]1 ZINC001130192902 848969668 /nfs/dbraw/zinc/96/96/68/848969668.db2.gz ACLNQTUQELBHIY-RDBSUJKOSA-N 1 1 365.503 0.905 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)COC)n1 ZINC001130202798 848973232 /nfs/dbraw/zinc/97/32/32/848973232.db2.gz KXUARBQNMBELCT-IHRRRGAJSA-N 1 1 351.451 0.742 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)COC)n[nH]1 ZINC001130202798 848973234 /nfs/dbraw/zinc/97/32/34/848973234.db2.gz KXUARBQNMBELCT-IHRRRGAJSA-N 1 1 351.451 0.742 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccns2)n1 ZINC001130216162 848977553 /nfs/dbraw/zinc/97/75/53/848977553.db2.gz OUIJRQXMXZVQJB-RYUDHWBXSA-N 1 1 360.443 0.677 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccns2)n[nH]1 ZINC001130216162 848977560 /nfs/dbraw/zinc/97/75/60/848977560.db2.gz OUIJRQXMXZVQJB-RYUDHWBXSA-N 1 1 360.443 0.677 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1c1cn(C)cn1 ZINC001130509892 849006703 /nfs/dbraw/zinc/00/67/03/849006703.db2.gz VDHBADOLPMASLE-WCQYABFASA-N 1 1 355.826 0.413 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1c1cn(C)cn1 ZINC001130583470 849016199 /nfs/dbraw/zinc/01/61/99/849016199.db2.gz ATAMRUBUNQEWBX-GXTWGEPZSA-N 1 1 368.869 0.376 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1c1cn(C)cn1 ZINC001130695410 849028026 /nfs/dbraw/zinc/02/80/26/849028026.db2.gz QTNJKJAWWMPYCZ-DZGCQCFKSA-N 1 1 367.881 0.971 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC)n[nH]2)O1 ZINC001130753096 849033837 /nfs/dbraw/zinc/03/38/37/849033837.db2.gz QLQRYIFQDLJAJB-QWHCGFSZSA-N 1 1 353.423 0.080 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnsn3)n[nH]2)O1 ZINC001130759864 849036539 /nfs/dbraw/zinc/03/65/39/849036539.db2.gz QMVYCSCLYRJIPK-CMPLNLGQSA-N 1 1 361.431 0.419 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cscn3)n[nH]2)O1 ZINC001130812871 849047557 /nfs/dbraw/zinc/04/75/57/849047557.db2.gz CUQOUGKMRQFUHX-QWHCGFSZSA-N 1 1 360.443 0.563 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001131300607 849088183 /nfs/dbraw/zinc/08/81/83/849088183.db2.gz BNYAJFGBCZXXME-ZNMIVQPWSA-N 1 1 364.471 0.925 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001131300607 849088188 /nfs/dbraw/zinc/08/81/88/849088188.db2.gz BNYAJFGBCZXXME-ZNMIVQPWSA-N 1 1 364.471 0.925 20 30 FCEDMO C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001131307548 849092393 /nfs/dbraw/zinc/09/23/93/849092393.db2.gz WRLGSTPPRXTPKN-ZNMIVQPWSA-N 1 1 355.410 0.655 20 30 FCEDMO C=CCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001131307548 849092399 /nfs/dbraw/zinc/09/23/99/849092399.db2.gz WRLGSTPPRXTPKN-ZNMIVQPWSA-N 1 1 355.410 0.655 20 30 FCEDMO C=CCCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313025 849094071 /nfs/dbraw/zinc/09/40/71/849094071.db2.gz FHZPJZNSKNAIJC-XHSDSOJGSA-N 1 1 350.463 0.620 20 30 FCEDMO C#CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC(=O)OC(C)C)C2=O ZINC001277712190 862022609 /nfs/dbraw/zinc/02/26/09/862022609.db2.gz NFSWTOLOJDGAHK-CRAIPNDOSA-N 1 1 352.431 0.016 20 30 FCEDMO C=CCOC(=O)N1CCC(CNC(=O)CCN2CC[NH+](C)CC2)CC1 ZINC001143238465 849480686 /nfs/dbraw/zinc/48/06/86/849480686.db2.gz WGYZLTIGTRCZGF-UHFFFAOYSA-N 1 1 352.479 0.775 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCNS(C)(=O)=O)C2 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367.453 0.809 20 30 FCEDMO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129496272 1201334269 /nfs/dbraw/zinc/33/42/69/1201334269.db2.gz IRPMMRLEMVZFFF-QRVBRYPASA-N 1 1 367.453 0.809 20 30 FCEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129496537 1201334890 /nfs/dbraw/zinc/33/48/90/1201334890.db2.gz QMMPDJAYRULGQM-IMJJTQAJSA-N 1 1 360.462 0.501 20 30 FCEDMO Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129608406 1201353889 /nfs/dbraw/zinc/35/38/89/1201353889.db2.gz PFVFIWWQDPANJJ-CVEARBPZSA-N 1 1 371.470 0.780 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001129756564 1201384480 /nfs/dbraw/zinc/38/44/80/1201384480.db2.gz ADXDXUIETGBISR-CVEARBPZSA-N 1 1 356.434 0.142 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001129795332 1201391053 /nfs/dbraw/zinc/39/10/53/1201391053.db2.gz GAAWLUZFECIIGQ-HLLBOEOZSA-N 1 1 360.418 0.443 20 30 FCEDMO 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ZINC001130150890 1201516881 /nfs/dbraw/zinc/51/68/81/1201516881.db2.gz DZYMNFWTMVQWJT-SJORKVTESA-N 1 1 371.445 0.511 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CCCO2)n1 ZINC001130187953 1201528958 /nfs/dbraw/zinc/52/89/58/1201528958.db2.gz RVOUUCGWABBZCA-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CCCO2)n[nH]1 ZINC001130187953 1201528961 /nfs/dbraw/zinc/52/89/61/1201528961.db2.gz RVOUUCGWABBZCA-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OC)n1 ZINC001130190531 1201528969 /nfs/dbraw/zinc/52/89/69/1201528969.db2.gz DSDIRARJNWOKIZ-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OC)n[nH]1 ZINC001130190531 1201528973 /nfs/dbraw/zinc/52/89/73/1201528973.db2.gz DSDIRARJNWOKIZ-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC2CC2)[nH]1 ZINC001130190505 1201529374 /nfs/dbraw/zinc/52/93/74/1201529374.db2.gz BWKHUTZTTSLDPT-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)[nH]2)n1 ZINC001130193402 1201531221 /nfs/dbraw/zinc/53/12/21/1201531221.db2.gz WAGLOIWTMPAMJW-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)[nH]2)n[nH]1 ZINC001130193402 1201531223 /nfs/dbraw/zinc/53/12/23/1201531223.db2.gz WAGLOIWTMPAMJW-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2C)[nH]1 ZINC001130196169 1201533091 /nfs/dbraw/zinc/53/30/91/1201533091.db2.gz VHOWZAXUDHUPKK-KBPBESRZSA-N 1 1 354.414 0.533 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2C)n[nH]1 ZINC001130196169 1201533095 /nfs/dbraw/zinc/53/30/95/1201533095.db2.gz VHOWZAXUDHUPKK-KBPBESRZSA-N 1 1 354.414 0.533 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(C)c2)n1 ZINC001130203073 1201539774 /nfs/dbraw/zinc/53/97/74/1201539774.db2.gz RSCRJYMKSHUYCE-GJZGRUSLSA-N 1 1 356.430 0.559 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)c2)n[nH]1 ZINC001130203073 1201539775 /nfs/dbraw/zinc/53/97/75/1201539775.db2.gz RSCRJYMKSHUYCE-GJZGRUSLSA-N 1 1 356.430 0.559 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCOCC2)n1 ZINC001130205441 1201540674 /nfs/dbraw/zinc/54/06/74/1201540674.db2.gz ZHFDFOAZNRCUGC-GJZGRUSLSA-N 1 1 361.446 0.806 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=CCOCC2)n[nH]1 ZINC001130205441 1201540679 /nfs/dbraw/zinc/54/06/79/1201540679.db2.gz ZHFDFOAZNRCUGC-GJZGRUSLSA-N 1 1 361.446 0.806 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnnc(C)c2)n1 ZINC001130205429 1201541214 /nfs/dbraw/zinc/54/12/14/1201541214.db2.gz ZAJAHMVTDRTUDF-KBPBESRZSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnnc(C)c2)n[nH]1 ZINC001130205429 1201541217 /nfs/dbraw/zinc/54/12/17/1201541217.db2.gz ZAJAHMVTDRTUDF-KBPBESRZSA-N 1 1 357.418 0.481 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)nn2)n1 ZINC001130207826 1201542328 /nfs/dbraw/zinc/54/23/28/1201542328.db2.gz RLTFSWWZKWTGMJ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)nn2)n[nH]1 ZINC001130207826 1201542332 /nfs/dbraw/zinc/54/23/32/1201542332.db2.gz RLTFSWWZKWTGMJ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO COC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209484 1201542484 /nfs/dbraw/zinc/54/24/84/1201542484.db2.gz CHCUWRMSGLDJHN-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO COC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209484 1201542491 /nfs/dbraw/zinc/54/24/91/1201542491.db2.gz CHCUWRMSGLDJHN-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(OCC)C2)[nH]1 ZINC001130209479 1201542638 /nfs/dbraw/zinc/54/26/38/1201542638.db2.gz BXHDBCBGQKGEEU-WUCCLRPBSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(OC)c2)[nH]1 ZINC001130220477 1201542735 /nfs/dbraw/zinc/54/27/35/1201542735.db2.gz ACNTYLBGIZUGJU-KBPBESRZSA-N 1 1 370.413 0.234 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(OC)c2)n[nH]1 ZINC001130220477 1201542737 /nfs/dbraw/zinc/54/27/37/1201542737.db2.gz ACNTYLBGIZUGJU-KBPBESRZSA-N 1 1 370.413 0.234 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(OC)C2)[nH]1 ZINC001130220481 1201543096 /nfs/dbraw/zinc/54/30/96/1201543096.db2.gz ADWJRPDJOGCGJA-WUCCLRPBSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@](C)(O)C=C)n1 ZINC001130210120 1201543639 /nfs/dbraw/zinc/54/36/39/1201543639.db2.gz XNIAANICFPEWOV-DEYYWGMASA-N 1 1 363.462 0.786 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@](C)(O)C=C)n[nH]1 ZINC001130210120 1201543645 /nfs/dbraw/zinc/54/36/45/1201543645.db2.gz XNIAANICFPEWOV-DEYYWGMASA-N 1 1 363.462 0.786 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2(O)CCC2)n1 ZINC001130210082 1201544127 /nfs/dbraw/zinc/54/41/27/1201544127.db2.gz VVXGVVMLPMEHCT-KBPBESRZSA-N 1 1 363.462 0.764 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2(O)CCC2)n[nH]1 ZINC001130210082 1201544129 /nfs/dbraw/zinc/54/41/29/1201544129.db2.gz VVXGVVMLPMEHCT-KBPBESRZSA-N 1 1 363.462 0.764 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2CC)[nH]1 ZINC001130215682 1201545864 /nfs/dbraw/zinc/54/58/64/1201545864.db2.gz BMQTXDQWHXXIMV-HOSILWTGSA-N 1 1 361.446 0.331 20 30 FCEDMO CC[N@@H+](C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 ZINC001130220926 1201550784 /nfs/dbraw/zinc/55/07/84/1201550784.db2.gz QSGVOJCEVYISCN-STQMWFEESA-N 1 1 363.466 0.137 20 30 FCEDMO CC[N@H+](C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130220926 1201550786 /nfs/dbraw/zinc/55/07/86/1201550786.db2.gz QSGVOJCEVYISCN-STQMWFEESA-N 1 1 363.466 0.137 20 30 FCEDMO CC[N@@H+](C)C(C)(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130220926 1201550789 /nfs/dbraw/zinc/55/07/89/1201550789.db2.gz QSGVOJCEVYISCN-STQMWFEESA-N 1 1 363.466 0.137 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2CC)[nH]1 ZINC001130221207 1201550900 /nfs/dbraw/zinc/55/09/00/1201550900.db2.gz ZVRDPFRTGAKKCV-FZMZJTMJSA-N 1 1 357.418 0.116 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC(F)F)n1 ZINC001130224975 1201554138 /nfs/dbraw/zinc/55/41/38/1201554138.db2.gz LGWORSATGUUSFI-RYUDHWBXSA-N 1 1 371.388 0.188 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC(F)F)n[nH]1 ZINC001130224975 1201554141 /nfs/dbraw/zinc/55/41/41/1201554141.db2.gz LGWORSATGUUSFI-RYUDHWBXSA-N 1 1 371.388 0.188 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OC)C2CCC2)n1 ZINC001130224973 1201554546 /nfs/dbraw/zinc/55/45/46/1201554546.db2.gz LGTHDXNBGOZIFK-DZKIICNBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OC)C2CCC2)n[nH]1 ZINC001130224973 1201554551 /nfs/dbraw/zinc/55/45/51/1201554551.db2.gz LGTHDXNBGOZIFK-DZKIICNBSA-N 1 1 363.462 0.884 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)nn(C)c2C)[nH]1 ZINC001130224936 1201554577 /nfs/dbraw/zinc/55/45/77/1201554577.db2.gz JPWRPKVQIGBAFH-KBPBESRZSA-N 1 1 371.445 0.180 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C)[nH]1 ZINC001130227864 1201555430 /nfs/dbraw/zinc/55/54/30/1201555430.db2.gz SOFNEFAQVAYJRM-AJNGGQMLSA-N 1 1 361.446 0.189 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](COC)OC)n1 ZINC001130240118 1201556009 /nfs/dbraw/zinc/55/60/09/1201556009.db2.gz JIOAXXJFQRBHBJ-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](COC)OC)n[nH]1 ZINC001130240118 1201556012 /nfs/dbraw/zinc/55/60/12/1201556012.db2.gz JIOAXXJFQRBHBJ-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2conc2CC)n1 ZINC001130232660 1201557782 /nfs/dbraw/zinc/55/77/82/1201557782.db2.gz MXCQMFOFBLERAA-FZMZJTMJSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2conc2CC)n[nH]1 ZINC001130232660 1201557785 /nfs/dbraw/zinc/55/77/85/1201557785.db2.gz MXCQMFOFBLERAA-FZMZJTMJSA-N 1 1 360.418 0.933 20 30 FCEDMO C=C[C@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130233055 1201558242 /nfs/dbraw/zinc/55/82/42/1201558242.db2.gz WURPHOAOXRETPY-ILXRZTDVSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C[C@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130233055 1201558244 /nfs/dbraw/zinc/55/82/44/1201558244.db2.gz WURPHOAOXRETPY-ILXRZTDVSA-N 1 1 365.478 0.868 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(CC)c2C)[nH]1 ZINC001130235162 1201559516 /nfs/dbraw/zinc/55/95/16/1201559516.db2.gz WBWCIKYWPGOEFA-HOTGVXAUSA-N 1 1 370.457 0.960 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(CC)c2C)n[nH]1 ZINC001130235162 1201559524 /nfs/dbraw/zinc/55/95/24/1201559524.db2.gz WBWCIKYWPGOEFA-HOTGVXAUSA-N 1 1 370.457 0.960 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ccc(C)n2)n1 ZINC001130237950 1201560504 /nfs/dbraw/zinc/56/05/04/1201560504.db2.gz LOSDFGHEPDKIIE-KBPBESRZSA-N 1 1 359.434 0.274 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2ccc(C)n2)n[nH]1 ZINC001130237950 1201560509 /nfs/dbraw/zinc/56/05/09/1201560509.db2.gz LOSDFGHEPDKIIE-KBPBESRZSA-N 1 1 359.434 0.274 20 30 FCEDMO C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[nH]1 ZINC001130237843 1201560719 /nfs/dbraw/zinc/56/07/19/1201560719.db2.gz GBWXFWSASXYBTI-AVGNSLFASA-N 1 1 364.450 0.113 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ncc[nH]2)n1 ZINC001130244455 1201563935 /nfs/dbraw/zinc/56/39/35/1201563935.db2.gz ISRHBYWFYBCYKW-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ncc[nH]2)n[nH]1 ZINC001130244455 1201563940 /nfs/dbraw/zinc/56/39/40/1201563940.db2.gz ISRHBYWFYBCYKW-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)CCCOC2)[nH]1 ZINC001130244927 1201564832 /nfs/dbraw/zinc/56/48/32/1201564832.db2.gz RAKVFVPRDFNTGX-SUNYJGFJSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cncn2C)n1 ZINC001130246377 1201566288 /nfs/dbraw/zinc/56/62/88/1201566288.db2.gz IOYCFRJMESANLW-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cncn2C)n[nH]1 ZINC001130246377 1201566292 /nfs/dbraw/zinc/56/62/92/1201566292.db2.gz IOYCFRJMESANLW-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(=O)[nH]c2)n1 ZINC001130248927 1201567137 /nfs/dbraw/zinc/56/71/37/1201567137.db2.gz AQDURDNDARFDCH-KBPBESRZSA-N 1 1 370.413 0.321 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(=O)[nH]c2)n[nH]1 ZINC001130248927 1201567140 /nfs/dbraw/zinc/56/71/40/1201567140.db2.gz AQDURDNDARFDCH-KBPBESRZSA-N 1 1 370.413 0.321 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccc(F)c2)[nH]1 ZINC001130249198 1201568729 /nfs/dbraw/zinc/56/87/29/1201568729.db2.gz ONVFCQRYVMHHIB-HOTGVXAUSA-N 1 1 371.416 0.898 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)nc2)[nH]1 ZINC001130249067 1201568888 /nfs/dbraw/zinc/56/88/88/1201568888.db2.gz ICXBQWVWSFKMGD-HOTGVXAUSA-N 1 1 368.441 0.462 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(C)n2)n1 ZINC001130249236 1201569323 /nfs/dbraw/zinc/56/93/23/1201569323.db2.gz REUBCQAEMKEQEZ-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)n2)n[nH]1 ZINC001130249236 1201569325 /nfs/dbraw/zinc/56/93/25/1201569325.db2.gz REUBCQAEMKEQEZ-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCOC2)[nH]1 ZINC001130249113 1201569467 /nfs/dbraw/zinc/56/94/67/1201569467.db2.gz KEUJLHGLKMSVFL-ILXRZTDVSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]cnc2CC)n1 ZINC001130251456 1201570537 /nfs/dbraw/zinc/57/05/37/1201570537.db2.gz VWLGLZHSLRDICF-AAEUAGOBSA-N 1 1 359.434 0.668 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]cnc2CC)n[nH]1 ZINC001130251456 1201570539 /nfs/dbraw/zinc/57/05/39/1201570539.db2.gz VWLGLZHSLRDICF-AAEUAGOBSA-N 1 1 359.434 0.668 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC(N)=O)n1 ZINC001130251432 1201570653 /nfs/dbraw/zinc/57/06/53/1201570653.db2.gz UKYONEPQBKYHOD-STQMWFEESA-N 1 1 364.450 0.115 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC(N)=O)n[nH]1 ZINC001130251432 1201570657 /nfs/dbraw/zinc/57/06/57/1201570657.db2.gz UKYONEPQBKYHOD-STQMWFEESA-N 1 1 364.450 0.115 20 30 FCEDMO 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CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001130583653 1202722883 /nfs/dbraw/zinc/72/28/83/1202722883.db2.gz LBOLOEOUHGRQQR-IJEWVQPXSA-N 1 1 370.461 0.248 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1c1cn(C)cn1 ZINC001130616996 1202737120 /nfs/dbraw/zinc/73/71/20/1202737120.db2.gz NRSYRVQMUVSWHD-PKOBYXMFSA-N 1 1 366.469 0.859 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccn3)n[nH]2)O1 ZINC001130749425 1202775644 /nfs/dbraw/zinc/77/56/44/1202775644.db2.gz HEJSOJHJGPILEP-DZGCQCFKSA-N 1 1 354.414 0.963 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)C)n[nH]2)O1 ZINC001130754798 1202777869 /nfs/dbraw/zinc/77/78/69/1202777869.db2.gz NSAPMPUUOBCTOL-LSDHHAIUSA-N 1 1 363.462 0.927 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)n3C)n[nH]2)O1 ZINC001130756480 1202779495 /nfs/dbraw/zinc/77/94/95/1202779495.db2.gz JFZOWULTFJJUMJ-DZGCQCFKSA-N 1 1 356.430 0.825 20 30 FCEDMO 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ZINC001618488417 1289914447 /nfs/dbraw/zinc/91/44/47/1289914447.db2.gz LPWCIVRZFVRXJW-INIZCTEOSA-N 1 1 373.505 0.910 20 30 FCEDMO CN1CC[N@@H+](CCn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C ZINC001618488417 1289914459 /nfs/dbraw/zinc/91/44/59/1289914459.db2.gz LPWCIVRZFVRXJW-INIZCTEOSA-N 1 1 373.505 0.910 20 30 FCEDMO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCO)cc1 ZINC001623740244 1290234845 /nfs/dbraw/zinc/23/48/45/1290234845.db2.gz LNPOXRNSJUSZBI-GFCCVEGCSA-N 1 1 354.432 0.418 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnnn1Cc1ccccc1 ZINC001754242598 1290627080 /nfs/dbraw/zinc/62/70/80/1290627080.db2.gz RFEZNPQCJLCUPI-OIISXLGYSA-N 1 1 370.457 0.907 20 30 FCEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001665788922 1291881119 /nfs/dbraw/zinc/88/11/19/1291881119.db2.gz GZXAPDOLCCPXDE-CQSZACIVSA-N 1 1 371.507 0.128 20 30 FCEDMO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H]1CC ZINC001689192963 1294662084 /nfs/dbraw/zinc/66/20/84/1294662084.db2.gz ZRSOTGYGHHKGKS-GZBFAFLISA-N 1 1 367.494 0.341 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H]1CC ZINC001689192963 1294662091 /nfs/dbraw/zinc/66/20/91/1294662091.db2.gz ZRSOTGYGHHKGKS-GZBFAFLISA-N 1 1 367.494 0.341 20 30 FCEDMO N#CCSCC(=O)N1C[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001689212723 1294667328 /nfs/dbraw/zinc/66/73/28/1294667328.db2.gz UPHCRUYZSQRHRH-KGLIPLIRSA-N 1 1 351.476 0.049 20 30 FCEDMO CC(C)OCCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001689215680 1294671307 /nfs/dbraw/zinc/67/13/07/1294671307.db2.gz SQSHARDCZXUGKT-ZACQAIPSSA-N 1 1 364.490 0.858 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3nccn3CC)C[C@@H]2C1 ZINC001689219311 1294672736 /nfs/dbraw/zinc/67/27/36/1294672736.db2.gz AGYANXBJEJAWSX-XHSDSOJGSA-N 1 1 359.474 0.988 20 30 FCEDMO C[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001689219727 1294675614 /nfs/dbraw/zinc/67/56/14/1294675614.db2.gz PSPLBMJTSAVHCC-XKQJLSEDSA-N 1 1 355.442 0.895 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)CC[C@@H]2C1 ZINC001689221296 1294677004 /nfs/dbraw/zinc/67/70/04/1294677004.db2.gz RVIWGOGJUWIOSV-ZACQAIPSSA-N 1 1 361.486 0.864 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1 ZINC001689224154 1294679724 /nfs/dbraw/zinc/67/97/24/1294679724.db2.gz AIKLDAMSNSLKLX-CVEARBPZSA-N 1 1 358.442 0.430 20 30 FCEDMO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CCOC)n3)C[C@@H]2C1 ZINC001689226501 1294685660 /nfs/dbraw/zinc/68/56/60/1294685660.db2.gz WUTCSXIWKLEXBZ-SJORKVTESA-N 1 1 360.458 0.573 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001689232284 1294691882 /nfs/dbraw/zinc/69/18/82/1294691882.db2.gz AORXBGDWEJPDNP-XHSDSOJGSA-N 1 1 357.458 0.118 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@@H]2C1 ZINC001689232284 1294691896 /nfs/dbraw/zinc/69/18/96/1294691896.db2.gz AORXBGDWEJPDNP-XHSDSOJGSA-N 1 1 357.458 0.118 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@@H]2C1 ZINC001689232284 1294691899 /nfs/dbraw/zinc/69/18/99/1294691899.db2.gz AORXBGDWEJPDNP-XHSDSOJGSA-N 1 1 357.458 0.118 20 30 FCEDMO CN(C)c1cccc(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)c1 ZINC001689236628 1294696759 /nfs/dbraw/zinc/69/67/59/1294696759.db2.gz MNHBZZSQZQUSAZ-SJORKVTESA-N 1 1 369.469 0.786 20 30 FCEDMO CN(C)c1cccc(C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)c1 ZINC001689236628 1294696766 /nfs/dbraw/zinc/69/67/66/1294696766.db2.gz MNHBZZSQZQUSAZ-SJORKVTESA-N 1 1 369.469 0.786 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@]3(C)CCC(=O)N3)C[C@@H]2C1 ZINC001689239641 1294699973 /nfs/dbraw/zinc/69/99/73/1294699973.db2.gz VPYJLGZJKCOVEZ-UWVAXJGDSA-N 1 1 361.486 0.865 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3scnc3Cl)C[C@@H]2C1 ZINC001689239029 1294701253 /nfs/dbraw/zinc/70/12/53/1294701253.db2.gz WCVUJMXYTXJZLY-NEPJUHHUSA-N 1 1 366.874 0.940 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccco2)[C@H]1C ZINC001689276091 1294704869 /nfs/dbraw/zinc/70/48/69/1294704869.db2.gz VYJLDXSEVCSAMO-HIFRSBDPSA-N 1 1 362.430 0.803 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccco2)[C@H]1C ZINC001689276091 1294704880 /nfs/dbraw/zinc/70/48/80/1294704880.db2.gz VYJLDXSEVCSAMO-HIFRSBDPSA-N 1 1 362.430 0.803 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nncc3ccccc32)[C@H]1C ZINC001689304384 1294730741 /nfs/dbraw/zinc/73/07/41/1294730741.db2.gz NYFYXVWAEHGEIJ-CJNGLKHVSA-N 1 1 351.410 0.572 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nncc3ccccc32)[C@H]1C ZINC001689304384 1294730747 /nfs/dbraw/zinc/73/07/47/1294730747.db2.gz NYFYXVWAEHGEIJ-CJNGLKHVSA-N 1 1 351.410 0.572 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cccc(OCC)n2)[C@H]1C ZINC001689307955 1294732401 /nfs/dbraw/zinc/73/24/01/1294732401.db2.gz PJFNZOIAQAWTGS-ZBFHGGJFSA-N 1 1 358.442 0.351 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(OCC)n2)[C@H]1C ZINC001689307955 1294732405 /nfs/dbraw/zinc/73/24/05/1294732405.db2.gz PJFNZOIAQAWTGS-ZBFHGGJFSA-N 1 1 358.442 0.351 20 30 FCEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC)[C@@H]1C ZINC001689321587 1294746685 /nfs/dbraw/zinc/74/66/85/1294746685.db2.gz MHAMRUWULSFDNA-VNQPRFMTSA-N 1 1 352.479 0.515 20 30 FCEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC)[C@@H]1C ZINC001689321587 1294746692 /nfs/dbraw/zinc/74/66/92/1294746692.db2.gz MHAMRUWULSFDNA-VNQPRFMTSA-N 1 1 352.479 0.515 20 30 FCEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)CC)[C@@H]1C ZINC001689321586 1294746711 /nfs/dbraw/zinc/74/67/11/1294746711.db2.gz MHAMRUWULSFDNA-KBMXLJTQSA-N 1 1 352.479 0.515 20 30 FCEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)CC)[C@@H]1C ZINC001689321586 1294746716 /nfs/dbraw/zinc/74/67/16/1294746716.db2.gz MHAMRUWULSFDNA-KBMXLJTQSA-N 1 1 352.479 0.515 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H]2C)C1=O ZINC001689334778 1294756045 /nfs/dbraw/zinc/75/60/45/1294756045.db2.gz MZZULWCKZWAZHB-ILXRZTDVSA-N 1 1 364.490 0.515 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCN3CCCC3=O)[C@H]2C)C1=O ZINC001689336127 1294756551 /nfs/dbraw/zinc/75/65/51/1294756551.db2.gz BKILHANLUYPKHD-PMPSAXMXSA-N 1 1 362.474 0.365 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(OC)cc2)[C@H]1C ZINC001689334425 1294757526 /nfs/dbraw/zinc/75/75/26/1294757526.db2.gz FFRPQTFBVZVJML-QAPCUYQASA-N 1 1 357.454 0.956 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(OC)cc2)[C@H]1C ZINC001689334425 1294757530 /nfs/dbraw/zinc/75/75/30/1294757530.db2.gz FFRPQTFBVZVJML-QAPCUYQASA-N 1 1 357.454 0.956 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)[C@H]1C ZINC001689341779 1294762691 /nfs/dbraw/zinc/76/26/91/1294762691.db2.gz ARMBZTHGGNJRJV-PBHICJAKSA-N 1 1 366.425 0.209 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)[C@H]1C ZINC001689341779 1294762696 /nfs/dbraw/zinc/76/26/96/1294762696.db2.gz ARMBZTHGGNJRJV-PBHICJAKSA-N 1 1 366.425 0.209 20 30 FCEDMO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)COCC=C)CC1 ZINC001689680913 1294824107 /nfs/dbraw/zinc/82/41/07/1294824107.db2.gz BKJOUPFRAAEGHD-SJLPKXTDSA-N 1 1 361.486 0.982 20 30 FCEDMO C#CCN1CCN(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001690078374 1294856219 /nfs/dbraw/zinc/85/62/19/1294856219.db2.gz REPXGIYEJPZDQJ-UXHICEINSA-N 1 1 354.498 0.699 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC001690521261 1294870196 /nfs/dbraw/zinc/87/01/96/1294870196.db2.gz DCLRQBXDHHLALH-ZXLDYLNASA-N 1 1 350.459 0.820 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001690899855 1294890417 /nfs/dbraw/zinc/89/04/17/1294890417.db2.gz YWBJDLPTGPFENQ-ARFHVFGLSA-N 1 1 357.458 0.623 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001690899855 1294890428 /nfs/dbraw/zinc/89/04/28/1294890428.db2.gz YWBJDLPTGPFENQ-ARFHVFGLSA-N 1 1 357.458 0.623 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001690899855 1294890440 /nfs/dbraw/zinc/89/04/40/1294890440.db2.gz YWBJDLPTGPFENQ-ARFHVFGLSA-N 1 1 357.458 0.623 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCOC2)[C@H]1C ZINC001691658073 1294904444 /nfs/dbraw/zinc/90/44/44/1294904444.db2.gz LSVBJIREKNDIJJ-KFWWJZLASA-N 1 1 366.462 0.394 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCOC2)[C@H]1C ZINC001691658073 1294904455 /nfs/dbraw/zinc/90/44/55/1294904455.db2.gz LSVBJIREKNDIJJ-KFWWJZLASA-N 1 1 366.462 0.394 20 30 FCEDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1C#N ZINC001164741431 720652903 /nfs/dbraw/zinc/65/29/03/720652903.db2.gz LANZMGVPMPLRQZ-KGLIPLIRSA-N 1 1 353.386 0.489 20 30 FCEDMO N#Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743243 720693327 /nfs/dbraw/zinc/69/33/27/720693327.db2.gz XFWYLTOWXDGMTP-KBPBESRZSA-N 1 1 367.369 0.993 20 30 FCEDMO Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C#N)n1 ZINC001164873575 721275875 /nfs/dbraw/zinc/27/58/75/721275875.db2.gz OPOVXCJBOJYGGT-UHFFFAOYSA-N 1 1 372.473 0.664 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070207842 837634113 /nfs/dbraw/zinc/63/41/13/837634113.db2.gz QUHBFBCADTYDAI-MCIONIFRSA-N 1 1 366.853 0.288 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001070212487 837634629 /nfs/dbraw/zinc/63/46/29/837634629.db2.gz HGDAIVOXPJXJLB-DVOMOZLQSA-N 1 1 366.853 0.288 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@@H]1n1ccnn1 ZINC001070211686 837634793 /nfs/dbraw/zinc/63/47/93/837634793.db2.gz VQQYLGARTLDDBB-OCCSQVGLSA-N 1 1 361.837 0.829 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2CC)C[C@@H]1n1ccnn1 ZINC001070224123 837636204 /nfs/dbraw/zinc/63/62/04/837636204.db2.gz OHGBDRGUZJRIIP-QLFBSQMISA-N 1 1 368.869 0.093 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]c(C3CC3)c2Cl)C[C@@H]1n1ccnn1 ZINC001070226261 837636432 /nfs/dbraw/zinc/63/64/32/837636432.db2.gz YAIYEIWFTDITFV-NEPJUHHUSA-N 1 1 359.821 0.821 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@@H]1n1ccnn1 ZINC001070230266 837636757 /nfs/dbraw/zinc/63/67/57/837636757.db2.gz CZZZUTMNWSMSKP-OLZOCXBDSA-N 1 1 363.809 0.485 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@@H]1n1ccnn1 ZINC001070257062 837639206 /nfs/dbraw/zinc/63/92/06/837639206.db2.gz GGXLHBXXKODERL-WWGRRREGSA-N 1 1 366.853 0.288 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2conc2COC)C[C@@H]1n1ccnn1 ZINC001070309871 837645795 /nfs/dbraw/zinc/64/57/95/837645795.db2.gz HHAJTEHJJSDLNM-OCCSQVGLSA-N 1 1 366.809 0.820 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001070333520 837647555 /nfs/dbraw/zinc/64/75/55/837647555.db2.gz CIMZLHAFJKMYNE-MJBXVCDLSA-N 1 1 366.853 0.241 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070488624 837654884 /nfs/dbraw/zinc/65/48/84/837654884.db2.gz FWAHGGQXFNDYBC-CYZMBNFOSA-N 1 1 353.810 0.165 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1c1cn(C)cn1 ZINC001070550829 837658671 /nfs/dbraw/zinc/65/86/71/837658671.db2.gz LRYYWTGIOCJGFZ-SWLSCSKDSA-N 1 1 364.837 0.991 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cncn1C ZINC001070639991 837664278 /nfs/dbraw/zinc/66/42/78/837664278.db2.gz KZFPBXNTLFIEFY-VXGBXAGGSA-N 1 1 365.825 0.054 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1c1cncn1C ZINC001070657924 837666867 /nfs/dbraw/zinc/66/68/67/837666867.db2.gz SVFOQMRWKYUTAL-VXGBXAGGSA-N 1 1 353.854 0.568 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1c1cncn1C ZINC001070655385 837666882 /nfs/dbraw/zinc/66/68/82/837666882.db2.gz KAXATCQGJWDVHA-BFHYXJOUSA-N 1 1 365.865 0.583 20 30 FCEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC001070915040 837696247 /nfs/dbraw/zinc/69/62/47/837696247.db2.gz NGQWITZUPVIPJG-CFVMTHIKSA-N 1 1 360.439 0.886 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC001070915040 837696256 /nfs/dbraw/zinc/69/62/56/837696256.db2.gz NGQWITZUPVIPJG-CFVMTHIKSA-N 1 1 360.439 0.886 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C(F)(F)F ZINC001099339249 844032479 /nfs/dbraw/zinc/03/24/79/844032479.db2.gz UIGOQNKCKYCTIF-RKDXNWHRSA-N 1 1 368.743 0.270 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)SC)C[C@]2(C)C1 ZINC001101132770 844071149 /nfs/dbraw/zinc/07/11/49/844071149.db2.gz WLZSAYUIARYUSM-XNJGSVPQSA-N 1 1 368.503 0.530 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cnc(C)s3)C[C@]2(C)C1 ZINC001101156882 844083505 /nfs/dbraw/zinc/08/35/05/844083505.db2.gz IXZFXIJQANCJJZ-DFHBCGBQSA-N 1 1 360.483 0.983 20 30 FCEDMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC001101174557 844088901 /nfs/dbraw/zinc/08/89/01/844088901.db2.gz YPNJYJHZTHTQNR-LZWOXQAQSA-N 1 1 356.492 0.256 20 30 FCEDMO C[C@H](C#N)C(=O)N1C[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@]2(C)C1 ZINC001101174484 844089325 /nfs/dbraw/zinc/08/93/25/844089325.db2.gz VQHRBZMNMSNIKG-JMSVASOKSA-N 1 1 360.380 0.995 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cc(C)sn3)C[C@]2(C)C1 ZINC001101213066 844105885 /nfs/dbraw/zinc/10/58/85/844105885.db2.gz RESNLYZEOIFWQD-IYOUNJFTSA-N 1 1 360.483 0.983 20 30 FCEDMO CN(CC[N@H+]1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@]2(C)C1)S(C)(=O)=O ZINC001101232297 844113606 /nfs/dbraw/zinc/11/36/06/844113606.db2.gz PPLRCZIRQKGJIL-QAPCUYQASA-N 1 1 369.531 0.708 20 30 FCEDMO Cn1c(Cl)ncc1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101298417 844139357 /nfs/dbraw/zinc/13/93/57/844139357.db2.gz ULENYOYPNDGKBD-BZNIZROVSA-N 1 1 364.837 0.107 20 30 FCEDMO Cn1c(Cl)ncc1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101298417 844139361 /nfs/dbraw/zinc/13/93/61/844139361.db2.gz ULENYOYPNDGKBD-BZNIZROVSA-N 1 1 364.837 0.107 20 30 FCEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101319991 844146060 /nfs/dbraw/zinc/14/60/60/844146060.db2.gz FGRAMYRWTTWPRC-PBHICJAKSA-N 1 1 357.520 0.918 20 30 FCEDMO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@]2(C)C1 ZINC001101394161 844173939 /nfs/dbraw/zinc/17/39/39/844173939.db2.gz YIWNUDWYALPDPR-KEYYUXOJSA-N 1 1 370.881 0.289 20 30 FCEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CCC(N)=O)NC(C)=O)C[C@]2(C)C1 ZINC001101394161 844173942 /nfs/dbraw/zinc/17/39/42/844173942.db2.gz YIWNUDWYALPDPR-KEYYUXOJSA-N 1 1 370.881 0.289 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)CCOCCCOC)C[C@]2(C)C1 ZINC001101423025 844182088 /nfs/dbraw/zinc/18/20/88/844182088.db2.gz PLTINTZCJLGJMJ-MJGOQNOKSA-N 1 1 352.475 0.860 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)C[C@]2(C)C1 ZINC001101426515 844182576 /nfs/dbraw/zinc/18/25/76/844182576.db2.gz KLJPKFMFPLYCOK-DYVFJYSZSA-N 1 1 353.413 0.952 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3scnc3Cl)C[C@]2(C)C1 ZINC001101462999 844194565 /nfs/dbraw/zinc/19/45/65/844194565.db2.gz ZAJPVIIZWMARPU-BZNIZROVSA-N 1 1 366.874 0.940 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc(CC)s3)C[C@]2(C)C1 ZINC001101482024 844204853 /nfs/dbraw/zinc/20/48/53/844204853.db2.gz TXDJMMRJYRWLNI-ACJLOTCBSA-N 1 1 360.483 0.849 20 30 FCEDMO C[C@]12CN(C(=O)c3ccc(F)s3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101488284 844206989 /nfs/dbraw/zinc/20/69/89/844206989.db2.gz XAYCFXRRKYADEY-BZNIZROVSA-N 1 1 350.419 0.921 20 30 FCEDMO C[C@]12CN(C(=O)c3ccc(F)s3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101488284 844207001 /nfs/dbraw/zinc/20/70/01/844207001.db2.gz XAYCFXRRKYADEY-BZNIZROVSA-N 1 1 350.419 0.921 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C2CCCC2)[C@H](C)C1 ZINC001101657338 844211586 /nfs/dbraw/zinc/21/15/86/844211586.db2.gz SHDRMJDIXZQJTQ-UKRRQHHQSA-N 1 1 350.463 0.873 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CCC2)[C@H](C)C1 ZINC001101660589 844213456 /nfs/dbraw/zinc/21/34/56/844213456.db2.gz GZIZLOGPOBSZKI-UMVBOHGHSA-N 1 1 350.463 0.871 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1CNC(=O)CSCC#N ZINC001101737502 844240516 /nfs/dbraw/zinc/24/05/16/844240516.db2.gz PVUBBSWVRNCMCX-RBSFLKMASA-N 1 1 368.503 0.175 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCOC)[C@H](C)C1 ZINC001101764000 844253352 /nfs/dbraw/zinc/25/33/52/844253352.db2.gz LRDLENLCAIXVCH-HZPDHXFCSA-N 1 1 352.479 0.859 20 30 FCEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075780830 837898733 /nfs/dbraw/zinc/89/87/33/837898733.db2.gz YBHNSQCPCVUIMS-DLBZAZTESA-N 1 1 350.484 0.757 20 30 FCEDMO O=C(C#CC1CC1)N1CC[C@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001075780830 837898740 /nfs/dbraw/zinc/89/87/40/837898740.db2.gz YBHNSQCPCVUIMS-DLBZAZTESA-N 1 1 350.484 0.757 20 30 FCEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855909 837915363 /nfs/dbraw/zinc/91/53/63/837915363.db2.gz VKKBNTWXJNHASJ-RRFJBIMHSA-N 1 1 355.866 0.767 20 30 FCEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@@H]2C1 ZINC001075855909 837915370 /nfs/dbraw/zinc/91/53/70/837915370.db2.gz VKKBNTWXJNHASJ-RRFJBIMHSA-N 1 1 355.866 0.767 20 30 FCEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](C[C@H](O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001101806364 844274126 /nfs/dbraw/zinc/27/41/26/844274126.db2.gz NSKKFBNFTNEMHO-KFWWJZLASA-N 1 1 351.447 0.147 20 30 FCEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001076428095 837998923 /nfs/dbraw/zinc/99/89/23/837998923.db2.gz DCMJELXJHQCFAR-NWDGAFQWSA-N 1 1 354.838 0.602 20 30 FCEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3C(=O)NC(=O)C3(C)C)[C@@H]2C1 ZINC001076428095 837998926 /nfs/dbraw/zinc/99/89/26/837998926.db2.gz DCMJELXJHQCFAR-NWDGAFQWSA-N 1 1 354.838 0.602 20 30 FCEDMO C=CCOCC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001101818233 844281574 /nfs/dbraw/zinc/28/15/74/844281574.db2.gz JJBPBNLYEDZRPC-OWCLPIDISA-N 1 1 358.504 0.698 20 30 FCEDMO COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C#N)[C@H](C)C1 ZINC001101828146 844284671 /nfs/dbraw/zinc/28/46/71/844284671.db2.gz WWHYXLCLNMGKKW-RBSFLKMASA-N 1 1 359.492 0.281 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC2(C)C)[C@H](C)C1 ZINC001101879590 844302042 /nfs/dbraw/zinc/30/20/42/844302042.db2.gz VVWUAZTYKDBOIU-MGPQQGTHSA-N 1 1 350.463 0.728 20 30 FCEDMO C#CCNC(=O)CC(=O)NC[C@@H]1C[N@H+](CCc2scnc2C)C[C@H]1C ZINC001101900397 844314608 /nfs/dbraw/zinc/31/46/08/844314608.db2.gz MHAPHPDXFMFHEJ-UKRRQHHQSA-N 1 1 362.499 0.818 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2OCCCO2)[C@H](C)C1 ZINC001101906846 844318951 /nfs/dbraw/zinc/31/89/51/844318951.db2.gz BXUOOBMQAWDAJS-QLFBSQMISA-N 1 1 353.463 0.514 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001101916371 844327426 /nfs/dbraw/zinc/32/74/26/844327426.db2.gz BTYIQQBLUOXYRT-IDHHARJASA-N 1 1 351.491 0.866 20 30 FCEDMO C#CCCCC(=O)NC[C@@H]1C[N@@H+](CCCNS(=O)(=O)CC)C[C@H]1C ZINC001101919359 844328777 /nfs/dbraw/zinc/32/87/77/844328777.db2.gz JJTGIPKELHVUPR-HZPDHXFCSA-N 1 1 357.520 0.803 20 30 FCEDMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](CNC(=O)C#CC2CC2)[C@H](C)C1 ZINC001101951332 844342641 /nfs/dbraw/zinc/34/26/41/844342641.db2.gz LDIZLMLURUCRNZ-GDBMZVCRSA-N 1 1 355.504 0.413 20 30 FCEDMO C[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001101951234 844344031 /nfs/dbraw/zinc/34/40/31/844344031.db2.gz HENYEFNGLMHIGR-RHSMWYFYSA-N 1 1 352.500 0.909 20 30 FCEDMO C#CCOCCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1C ZINC001101960874 844349196 /nfs/dbraw/zinc/34/91/96/844349196.db2.gz OPQJHQAXMJSUNT-IXDOHACOSA-N 1 1 351.491 0.871 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2c(Cl)cnn2C)[C@H](C)C1 ZINC001101974903 844357246 /nfs/dbraw/zinc/35/72/46/844357246.db2.gz WARWDYCCFPXYLP-JHJVBQTASA-N 1 1 365.865 0.509 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2sc(C)nc2C)C[C@H]1O ZINC001077158380 838777564 /nfs/dbraw/zinc/77/75/64/838777564.db2.gz BNSWJJLUIKZFRO-OWCLPIDISA-N 1 1 362.499 0.519 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2sc(C)nc2C)C[C@H]1O ZINC001077158380 838777574 /nfs/dbraw/zinc/77/75/74/838777574.db2.gz BNSWJJLUIKZFRO-OWCLPIDISA-N 1 1 362.499 0.519 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1nn(C)cc1Cl ZINC001101995786 844368029 /nfs/dbraw/zinc/36/80/29/844368029.db2.gz KNWJPXLIBIELEQ-GHMZBOCLSA-N 1 1 352.826 0.011 20 30 FCEDMO CCn1ncc(Cl)c1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001101996674 844368193 /nfs/dbraw/zinc/36/81/93/844368193.db2.gz BGTGTSKXKXQNCD-VXGBXAGGSA-N 1 1 366.853 0.494 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)[nH]nc2Cl)[C@H](C)C1 ZINC001102029090 844388161 /nfs/dbraw/zinc/38/81/61/844388161.db2.gz CONQZFQYNQQJBF-ZYHUDNBSSA-N 1 1 351.838 0.419 20 30 FCEDMO C#CCC1(C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CCOCC1 ZINC001102032192 844390117 /nfs/dbraw/zinc/39/01/17/844390117.db2.gz VJNYYHGBLQSBSP-IAGOWNOFSA-N 1 1 352.475 0.500 20 30 FCEDMO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077684766 839111189 /nfs/dbraw/zinc/11/11/89/839111189.db2.gz WOAGLKYBDRZTJV-CHWSQXEVSA-N 1 1 360.296 0.788 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1cnn(C)c1Cl ZINC001102090727 844409169 /nfs/dbraw/zinc/40/91/69/844409169.db2.gz ATZTVDYMOGXPGG-GHMZBOCLSA-N 1 1 352.826 0.011 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CS(=O)(=O)CC(C)C)[C@H](C)C1 ZINC001102095248 844414111 /nfs/dbraw/zinc/41/41/11/844414111.db2.gz HUHRYYNSOGLZAU-HZPDHXFCSA-N 1 1 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30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC(OC)C2)C[C@H]1C(F)(F)F ZINC001112119383 846399220 /nfs/dbraw/zinc/39/92/20/846399220.db2.gz SMHMBVGMPGXIHS-FIYWTHMPSA-N 1 1 361.364 0.140 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1C(F)(F)F ZINC001112139687 846411525 /nfs/dbraw/zinc/41/15/25/846411525.db2.gz DDOGQFLCTOLAFP-GMTAPVOTSA-N 1 1 360.336 0.958 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1C(F)(F)F ZINC001112145748 846417327 /nfs/dbraw/zinc/41/73/27/846417327.db2.gz HZUZHTMGQJYWLK-WZRBSPASSA-N 1 1 351.344 0.709 20 30 FCEDMO CO[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1)C(C)C ZINC001112158065 846424875 /nfs/dbraw/zinc/42/48/75/846424875.db2.gz ROFKJIAIPWFELS-NQBHXWOUSA-N 1 1 364.368 0.276 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C(F)(F)F ZINC001112159014 846425784 /nfs/dbraw/zinc/42/57/84/846425784.db2.gz KZPNQCDJQXWBEC-NXEZZACHSA-N 1 1 355.307 0.760 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C(F)(F)F ZINC001112163203 846428076 /nfs/dbraw/zinc/42/80/76/846428076.db2.gz NNMBFSLTGKEOJN-IJLUTSLNSA-N 1 1 363.355 0.853 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C(F)(F)F ZINC001112171604 846433401 /nfs/dbraw/zinc/43/34/01/846433401.db2.gz QHOAYJTZXMUPNE-YNEHKIRRSA-N 1 1 357.376 0.905 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@H]1C(F)(F)F ZINC001112216000 846472466 /nfs/dbraw/zinc/47/24/66/846472466.db2.gz RFCMEXCTQRMVNH-YNEHKIRRSA-N 1 1 363.380 0.859 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001114859172 846555525 /nfs/dbraw/zinc/55/55/25/846555525.db2.gz ODVZIPGRYOONMX-OWYFMNJBSA-N 1 1 368.499 0.449 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3(CS(C)(=O)=O)CC3)C[C@H]21 ZINC001114859172 846555536 /nfs/dbraw/zinc/55/55/36/846555536.db2.gz ODVZIPGRYOONMX-OWYFMNJBSA-N 1 1 368.499 0.449 20 30 FCEDMO N#CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCN3CCOCC3)C2)C1 ZINC001276951225 861701160 /nfs/dbraw/zinc/70/11/60/861701160.db2.gz FUJKNJCZDYJAFY-SFHVURJKSA-N 1 1 350.463 0.173 20 30 FCEDMO CN(C)C(=O)CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCCC#N)C2 ZINC001276955170 861701796 /nfs/dbraw/zinc/70/17/96/861701796.db2.gz GUAGPYFGZLHDLL-SFHVURJKSA-N 1 1 350.463 0.709 20 30 FCEDMO COC[C@@H](C(=O)OC)N1C[C@@]2(CC1=O)COCC[N@@H+](CCCC#N)C2 ZINC001276952064 861701852 /nfs/dbraw/zinc/70/18/52/861701852.db2.gz XGFZFEYUZDVCIA-YOEHRIQHSA-N 1 1 353.419 0.029 20 30 FCEDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(CC#N)CC2)CCCO1 ZINC001117525696 847061547 /nfs/dbraw/zinc/06/15/47/847061547.db2.gz GMCXHWOIBWADRZ-OAHLLOKOSA-N 1 1 350.463 0.756 20 30 FCEDMO C=C(C)COCCNC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001117594370 847101136 /nfs/dbraw/zinc/10/11/36/847101136.db2.gz ILXKCOMWIZQONF-HUUCEWRRSA-N 1 1 355.479 0.699 20 30 FCEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001117671668 847139871 /nfs/dbraw/zinc/13/98/71/847139871.db2.gz ODNUKOFNSZMEBS-OAHLLOKOSA-N 1 1 362.455 0.533 20 30 FCEDMO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC001118197908 847321206 /nfs/dbraw/zinc/32/12/06/847321206.db2.gz PMWFJJJYOUYGJX-KRWDZBQOSA-N 1 1 352.435 0.416 20 30 FCEDMO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC001118197908 847321217 /nfs/dbraw/zinc/32/12/17/847321217.db2.gz PMWFJJJYOUYGJX-KRWDZBQOSA-N 1 1 352.435 0.416 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC001119309740 847808429 /nfs/dbraw/zinc/80/84/29/847808429.db2.gz NPDGSHMUOSDQSY-NSHDSACASA-N 1 1 356.352 0.920 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 ZINC001119309740 847808440 /nfs/dbraw/zinc/80/84/40/847808440.db2.gz NPDGSHMUOSDQSY-NSHDSACASA-N 1 1 356.352 0.920 20 30 FCEDMO C=CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001121607004 848375638 /nfs/dbraw/zinc/37/56/38/848375638.db2.gz HIQZRLQHPUJLAG-CQSZACIVSA-N 1 1 350.423 0.584 20 30 FCEDMO C=C(C)Cn1c([C@H](C)O)nnc1N1CC[NH+](CCOCCOC)CC1 ZINC001122560373 848520013 /nfs/dbraw/zinc/52/00/13/848520013.db2.gz GZGSWWGZBSJKJL-HNNXBMFYSA-N 1 1 353.467 0.693 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CO[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128898503 848783568 /nfs/dbraw/zinc/78/35/68/848783568.db2.gz XWDSHZHANPTMQN-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)CO[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001128898503 848783576 /nfs/dbraw/zinc/78/35/76/848783576.db2.gz XWDSHZHANPTMQN-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001128998848 848793772 /nfs/dbraw/zinc/79/37/72/848793772.db2.gz HWFYMWFLWDBPPE-OLZOCXBDSA-N 1 1 359.352 0.612 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001128998848 848793782 /nfs/dbraw/zinc/79/37/82/848793782.db2.gz HWFYMWFLWDBPPE-OLZOCXBDSA-N 1 1 359.352 0.612 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129188807 848815842 /nfs/dbraw/zinc/81/58/42/848815842.db2.gz BMUXXYFXUHMAQQ-XHSDSOJGSA-N 1 1 351.451 0.231 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129188807 848815844 /nfs/dbraw/zinc/81/58/44/848815844.db2.gz BMUXXYFXUHMAQQ-XHSDSOJGSA-N 1 1 351.451 0.231 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129228560 848820779 /nfs/dbraw/zinc/82/07/79/848820779.db2.gz YARLJRNDPZQATO-OWCLPIDISA-N 1 1 351.451 0.493 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129228560 848820789 /nfs/dbraw/zinc/82/07/89/848820789.db2.gz YARLJRNDPZQATO-OWCLPIDISA-N 1 1 351.451 0.493 20 30 FCEDMO C=CCN1CC[C@]2(CCCN2C(=S)NCCC[NH+]2CCOCC2)C1=O ZINC001277581424 861947538 /nfs/dbraw/zinc/94/75/38/861947538.db2.gz UCAATMCYGUDAKI-GOSISDBHSA-N 1 1 366.531 0.836 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCOC)[C@@H](n2ccnn2)C1 ZINC001129445386 848845554 /nfs/dbraw/zinc/84/55/54/848845554.db2.gz KPDNPPHMEWCWNH-OAGGEKHMSA-N 1 1 351.451 0.495 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129497093 848853626 /nfs/dbraw/zinc/85/36/26/848853626.db2.gz ZAUKPKVRLAJOHP-CVEARBPZSA-N 1 1 351.451 0.639 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129878980 848906740 /nfs/dbraw/zinc/90/67/40/848906740.db2.gz MJUAVTGLEZMXRP-OAGGEKHMSA-N 1 1 352.458 0.876 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)C(N)=O)C[C@@H]1n1ccnn1 ZINC001130155430 848954085 /nfs/dbraw/zinc/95/40/85/848954085.db2.gz GPKATKLTCKTVCZ-MJBXVCDLSA-N 1 1 368.869 0.520 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001130161038 848955099 /nfs/dbraw/zinc/95/50/99/848955099.db2.gz MTOMRNLFYLSHDG-KFWWJZLASA-N 1 1 369.853 0.568 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)OCC)n1 ZINC001130190575 848968010 /nfs/dbraw/zinc/96/80/10/848968010.db2.gz GLTBQMMEYOORMX-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)OCC)n[nH]1 ZINC001130190575 848968018 /nfs/dbraw/zinc/96/80/18/848968018.db2.gz GLTBQMMEYOORMX-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)OC)n1 ZINC001130193174 848970802 /nfs/dbraw/zinc/97/08/02/848970802.db2.gz LQVCDFCCCOIZDI-RDBSUJKOSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)OC)n[nH]1 ZINC001130193174 848970812 /nfs/dbraw/zinc/97/08/12/848970812.db2.gz LQVCDFCCCOIZDI-RDBSUJKOSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OC)n1 ZINC001130193367 848971175 /nfs/dbraw/zinc/97/11/75/848971175.db2.gz UULYGKHKEFFEQC-MJBXVCDLSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)OC)n[nH]1 ZINC001130193367 848971179 /nfs/dbraw/zinc/97/11/79/848971179.db2.gz UULYGKHKEFFEQC-MJBXVCDLSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC)n[nH]1 ZINC001130209670 848975986 /nfs/dbraw/zinc/97/59/86/848975986.db2.gz JQNCCQZSCGQZLP-GDZNZVCISA-N 1 1 351.451 0.620 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC)n1 ZINC001130209670 848975996 /nfs/dbraw/zinc/97/59/96/848975996.db2.gz JQNCCQZSCGQZLP-GDZNZVCISA-N 1 1 351.451 0.620 20 30 FCEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncc[nH]2)[nH]1 ZINC001130212994 848977607 /nfs/dbraw/zinc/97/76/07/848977607.db2.gz OATNHRXQSFZSHG-QWRGUYRKSA-N 1 1 365.825 0.672 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CCC)OC)n1 ZINC001130227724 848980580 /nfs/dbraw/zinc/98/05/80/848980580.db2.gz LYJCRHVJAMJXME-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CCC)OC)n[nH]1 ZINC001130227724 848980588 /nfs/dbraw/zinc/98/05/88/848980588.db2.gz LYJCRHVJAMJXME-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO 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546555567 /nfs/dbraw/zinc/55/55/67/546555567.db2.gz RTUJEVZEYVQYHF-INIZCTEOSA-N 1 1 350.467 0.260 20 30 FCEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000329516113 546557202 /nfs/dbraw/zinc/55/72/02/546557202.db2.gz YRPCCUKJBYBRJW-MRXNPFEDSA-N 1 1 366.487 0.777 20 30 FCEDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CN(C)CCN1C ZINC000330242625 546591426 /nfs/dbraw/zinc/59/14/26/546591426.db2.gz GEVQDVSQGYGYAI-RDJZCZTQSA-N 1 1 353.511 0.331 20 30 FCEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CN(C)CCN1C ZINC000330242625 546591429 /nfs/dbraw/zinc/59/14/29/546591429.db2.gz GEVQDVSQGYGYAI-RDJZCZTQSA-N 1 1 353.511 0.331 20 30 FCEDMO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C1CC1 ZINC000593130106 546963008 /nfs/dbraw/zinc/96/30/08/546963008.db2.gz FSNMWKCOXQOWMX-LSDHHAIUSA-N 1 1 363.439 0.858 20 30 FCEDMO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C1CC1 ZINC000593130106 546963017 /nfs/dbraw/zinc/96/30/17/546963017.db2.gz FSNMWKCOXQOWMX-LSDHHAIUSA-N 1 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ZINC001053259662 675992687 /nfs/dbraw/zinc/99/26/87/675992687.db2.gz HQOKMBNRMIYLNT-BBWFWOEESA-N 1 1 350.459 0.917 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CN(C(=O)CSCC#N)C[C@@H]3C2)CC[N@H+]1C ZINC001055182822 676014114 /nfs/dbraw/zinc/01/41/14/676014114.db2.gz KOHRRAWZYWCARS-XUWVNRHRSA-N 1 1 364.515 0.890 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ncc(Cl)n2C)C1 ZINC001051834862 676112051 /nfs/dbraw/zinc/11/20/51/676112051.db2.gz YOMDDVFGADXHGW-MCIONIFRSA-N 1 1 368.865 0.982 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)C[N@H+](C)CCC ZINC001057724215 676116688 /nfs/dbraw/zinc/11/66/88/676116688.db2.gz UZSCPNSSKLFRHB-RDJZCZTQSA-N 1 1 355.479 0.247 20 30 FCEDMO CC[N@H+]1CC[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000882481162 673314949 /nfs/dbraw/zinc/31/49/49/673314949.db2.gz PPIUPXAPDJULFJ-GFCCVEGCSA-N 1 1 350.444 0.326 20 30 FCEDMO C=CCCOCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057919869 676131088 /nfs/dbraw/zinc/13/10/88/676131088.db2.gz AMCVWMAOOIYPDN-JKSUJKDBSA-N 1 1 355.479 0.247 20 30 FCEDMO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCc3sc(CN)nc3C2)CC1 ZINC000884642918 673469317 /nfs/dbraw/zinc/46/93/17/673469317.db2.gz SSMMBQBRPVRPHP-UHFFFAOYSA-N 1 1 363.487 0.253 20 30 FCEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001058472159 676151443 /nfs/dbraw/zinc/15/14/43/676151443.db2.gz LRQJSUCBYLIMLP-OWCLPIDISA-N 1 1 355.479 0.245 20 30 FCEDMO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001058472159 676151444 /nfs/dbraw/zinc/15/14/44/676151444.db2.gz LRQJSUCBYLIMLP-OWCLPIDISA-N 1 1 355.479 0.245 20 30 FCEDMO C#CC[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC000886360486 673580837 /nfs/dbraw/zinc/58/08/37/673580837.db2.gz WULPGQJSHJXWJT-KGLIPLIRSA-N 1 1 361.467 0.957 20 30 FCEDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCc2nc(C#N)cs2)CC1=O ZINC000887982183 673662581 /nfs/dbraw/zinc/66/25/81/673662581.db2.gz VZZVASHTYNNILA-TZMCWYRMSA-N 1 1 361.471 0.964 20 30 FCEDMO C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890134461 673705574 /nfs/dbraw/zinc/70/55/74/673705574.db2.gz YYYMGMKFVWRMRV-SJORKVTESA-N 1 1 354.495 0.409 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@H](O)COCCOC(C)C)C1 ZINC000890370925 673714879 /nfs/dbraw/zinc/71/48/79/673714879.db2.gz IWUOETWUFMTSGP-IRXDYDNUSA-N 1 1 355.479 0.528 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@H](O)COCCOC(C)C)C1 ZINC000890370925 673714882 /nfs/dbraw/zinc/71/48/82/673714882.db2.gz IWUOETWUFMTSGP-IRXDYDNUSA-N 1 1 355.479 0.528 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000890378140 673715037 /nfs/dbraw/zinc/71/50/37/673715037.db2.gz WCDAONANDLHLJX-INIZCTEOSA-N 1 1 350.463 0.004 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C(=O)NCCCO)CC2)C1 ZINC000890378140 673715038 /nfs/dbraw/zinc/71/50/38/673715038.db2.gz WCDAONANDLHLJX-INIZCTEOSA-N 1 1 350.463 0.004 20 30 FCEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926489084 673832292 /nfs/dbraw/zinc/83/22/92/673832292.db2.gz DBXMXDVCBJRLHA-CQSZACIVSA-N 1 1 351.472 0.551 20 30 FCEDMO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000926489084 673832296 /nfs/dbraw/zinc/83/22/96/673832296.db2.gz DBXMXDVCBJRLHA-CQSZACIVSA-N 1 1 351.472 0.551 20 30 FCEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F ZINC001008706082 675338317 /nfs/dbraw/zinc/33/83/17/675338317.db2.gz HOSAPCCWTDXFNZ-MGPQQGTHSA-N 1 1 357.376 1.000 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001014469331 675389933 /nfs/dbraw/zinc/38/99/33/675389933.db2.gz LQMUKOGRVDUQCG-BBWFWOEESA-N 1 1 370.515 0.983 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC001014469331 675389936 /nfs/dbraw/zinc/38/99/36/675389936.db2.gz LQMUKOGRVDUQCG-BBWFWOEESA-N 1 1 370.515 0.983 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2c(C)csc2=O)C1 ZINC001015726782 675398321 /nfs/dbraw/zinc/39/83/21/675398321.db2.gz SDGMRHUEPACUSJ-ZNMIVQPWSA-N 1 1 351.472 1.000 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC001015726782 675398323 /nfs/dbraw/zinc/39/83/23/675398323.db2.gz SDGMRHUEPACUSJ-ZNMIVQPWSA-N 1 1 351.472 1.000 20 30 FCEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1O ZINC001040944199 675479696 /nfs/dbraw/zinc/47/96/96/675479696.db2.gz IQXRHXWAYQOVBA-KXUCPTDWSA-N 1 1 355.851 0.428 20 30 FCEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O ZINC001041273599 675510493 /nfs/dbraw/zinc/51/04/93/675510493.db2.gz XKMROWKZNXWOIG-QLFBSQMISA-N 1 1 363.849 0.757 20 30 FCEDMO Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1C#N ZINC001041310392 675513072 /nfs/dbraw/zinc/51/30/72/675513072.db2.gz GIEBMNUFNHOYNP-OBCWZRDOSA-N 1 1 363.487 0.719 20 30 FCEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]2O)C1 ZINC001041344779 675515754 /nfs/dbraw/zinc/51/57/54/675515754.db2.gz ZANVKVOGLZGWNK-HBNTYKKESA-N 1 1 369.878 0.676 20 30 FCEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]2O)CC[N@H+]1C ZINC001041396354 675519528 /nfs/dbraw/zinc/51/95/28/675519528.db2.gz DOHIKSPFBJPJHV-CNVPUSNMSA-N 1 1 369.878 0.674 20 30 FCEDMO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001042977407 675558577 /nfs/dbraw/zinc/55/85/77/675558577.db2.gz LDEPTJIVJAPWGN-NILFDRSVSA-N 1 1 363.487 0.985 20 30 FCEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]2O)C1 ZINC001044063120 675614363 /nfs/dbraw/zinc/61/43/63/675614363.db2.gz WUPDNRJQMPREFY-GLQYFDAESA-N 1 1 363.849 0.614 20 30 FCEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O ZINC001044539048 675637462 /nfs/dbraw/zinc/63/74/62/675637462.db2.gz WDYKBOHSSQGGTJ-JLLWLGSASA-N 1 1 369.878 0.818 20 30 FCEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O ZINC001044702867 675643862 /nfs/dbraw/zinc/64/38/62/675643862.db2.gz AAJOTLZOFDIMDU-KFWWJZLASA-N 1 1 363.487 0.863 20 30 FCEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@@H]1O ZINC001044702866 675643988 /nfs/dbraw/zinc/64/39/88/675643988.db2.gz AAJOTLZOFDIMDU-ILXRZTDVSA-N 1 1 363.487 0.863 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001047533245 675806862 /nfs/dbraw/zinc/80/68/62/675806862.db2.gz DRMYLRVHQYSZDH-OWSLCNJRSA-N 1 1 352.475 0.898 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCS(C)(=O)=O ZINC001048564071 675862302 /nfs/dbraw/zinc/86/23/02/675862302.db2.gz UZDJXIWZFXHUIU-JJTUDDRGSA-N 1 1 370.515 0.981 20 30 FCEDMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001217237461 1224095802 /nfs/dbraw/zinc/09/58/02/1224095802.db2.gz OFKZLCSKZYSDJO-DOPJRALCSA-N 1 1 356.426 0.494 20 30 FCEDMO CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001217237461 1224095804 /nfs/dbraw/zinc/09/58/04/1224095804.db2.gz OFKZLCSKZYSDJO-DOPJRALCSA-N 1 1 356.426 0.494 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cncc4[nH]cnc43)[C@H]2C)C1=O ZINC001088582101 1192201581 /nfs/dbraw/zinc/20/15/81/1192201581.db2.gz YGDCBJNQYRJNRC-INWMFGNUSA-N 1 1 368.441 0.937 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cncc4[nH]cnc43)[C@H]2C)C1=O ZINC001088582101 1192201592 /nfs/dbraw/zinc/20/15/92/1192201592.db2.gz YGDCBJNQYRJNRC-INWMFGNUSA-N 1 1 368.441 0.937 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088594678 1192261050 /nfs/dbraw/zinc/26/10/50/1192261050.db2.gz WCHPODDOLUWPMW-PBHICJAKSA-N 1 1 354.414 0.960 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001067551573 1167846214 /nfs/dbraw/zinc/84/62/14/1167846214.db2.gz IRDMQSYNIDZCBL-IXDOHACOSA-N 1 1 367.490 0.605 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001067551573 1167846216 /nfs/dbraw/zinc/84/62/16/1167846216.db2.gz IRDMQSYNIDZCBL-IXDOHACOSA-N 1 1 367.490 0.605 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C)nc1 ZINC001020441048 1167846245 /nfs/dbraw/zinc/84/62/45/1167846245.db2.gz FGZLEYYBOVYQTM-YQYZPQCESA-N 1 1 370.453 0.501 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C)nc1 ZINC001020441048 1167846251 /nfs/dbraw/zinc/84/62/51/1167846251.db2.gz FGZLEYYBOVYQTM-YQYZPQCESA-N 1 1 370.453 0.501 20 30 FCEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000728203274 1167940170 /nfs/dbraw/zinc/94/01/70/1167940170.db2.gz SAVOYCRUKMUIGD-KRWDZBQOSA-N 1 1 355.442 0.593 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2O)cc1 ZINC000969477741 1167981781 /nfs/dbraw/zinc/98/17/81/1167981781.db2.gz GVHCILXRFGQWFQ-SJORKVTESA-N 1 1 352.394 0.175 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](O)C1 ZINC000969628979 1168033364 /nfs/dbraw/zinc/03/33/64/1168033364.db2.gz FNXGHPUXKKHYGF-SQNIBIBYSA-N 1 1 370.453 0.098 20 30 FCEDMO 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INTDWMRNBACRMB-KGLIPLIRSA-N 1 1 358.402 0.219 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCNC(=O)c2ccco2)[C@@H](n2ccnn2)C1 ZINC001129421977 1201303191 /nfs/dbraw/zinc/30/31/91/1201303191.db2.gz INTDWMRNBACRMB-KGLIPLIRSA-N 1 1 358.402 0.219 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001129400729 1201305610 /nfs/dbraw/zinc/30/56/10/1201305610.db2.gz YVUCCOJNQRBDMQ-CVEARBPZSA-N 1 1 371.445 0.151 20 30 FCEDMO C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129449495 1201310705 /nfs/dbraw/zinc/31/07/05/1201310705.db2.gz OQWYUTOKBGCLMC-KSZLIROESA-N 1 1 355.442 0.972 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCCc2nc(CC)no2)[C@@H](n2ccnn2)C1 ZINC001129433707 1201315718 /nfs/dbraw/zinc/31/57/18/1201315718.db2.gz NKVCQEIMWZRIBO-CABCVRRESA-N 1 1 371.445 0.611 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129470962 1201321560 /nfs/dbraw/zinc/32/15/60/1201321560.db2.gz RFDIKORYSZOIGB-SJORKVTESA-N 1 1 357.462 0.952 20 30 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C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@@]2(C)CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129496301 1201333845 /nfs/dbraw/zinc/33/38/45/1201333845.db2.gz KDVHZWAFAAACSH-VKJFTORMSA-N 1 1 360.462 0.645 20 30 FCEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC[C@]2(C)CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129497019 1201336067 /nfs/dbraw/zinc/33/60/67/1201336067.db2.gz YNAREINNZILSIM-RVKKMQEKSA-N 1 1 360.462 0.645 20 30 FCEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086623050 1201339547 /nfs/dbraw/zinc/33/95/47/1201339547.db2.gz HXOGVFRDQQQHFB-GOEBONIOSA-N 1 1 354.410 0.870 20 30 FCEDMO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129667195 1201364719 /nfs/dbraw/zinc/36/47/19/1201364719.db2.gz RBHAJPYVHRBYBM-CABCVRRESA-N 1 1 357.418 0.585 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001129680886 1201368809 /nfs/dbraw/zinc/36/88/09/1201368809.db2.gz FPVVKXCGJYOHRG-CVEARBPZSA-N 1 1 357.418 0.121 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001129795716 1201391211 /nfs/dbraw/zinc/39/12/11/1201391211.db2.gz NDAHVSSKKWSCRM-RYRKJORJSA-N 1 1 371.445 0.245 20 30 FCEDMO COc1ccnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)c1 ZINC001129825363 1201401848 /nfs/dbraw/zinc/40/18/48/1201401848.db2.gz UPMKAYFRPAVYIA-MSOLQXFVSA-N 1 1 368.441 0.883 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@@H]1n1ccnn1 ZINC001129863355 1201407757 /nfs/dbraw/zinc/40/77/57/1201407757.db2.gz CVMCJRQNVJSCTF-CABCVRRESA-N 1 1 350.386 0.228 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923662 1201443093 /nfs/dbraw/zinc/44/30/93/1201443093.db2.gz PBBSXYBQZBFXJD-KURKYZTESA-N 1 1 358.490 0.763 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923662 1201443095 /nfs/dbraw/zinc/44/30/95/1201443095.db2.gz PBBSXYBQZBFXJD-KURKYZTESA-N 1 1 358.490 0.763 20 30 FCEDMO 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)n2cccn2)n1 ZINC001130184576 1201537152 /nfs/dbraw/zinc/53/71/52/1201537152.db2.gz BDOACKOLXAJUSA-RDBSUJKOSA-N 1 1 359.434 0.527 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)n2cccn2)n[nH]1 ZINC001130184576 1201537156 /nfs/dbraw/zinc/53/71/56/1201537156.db2.gz BDOACKOLXAJUSA-RDBSUJKOSA-N 1 1 359.434 0.527 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(C#N)c2)[nH]1 ZINC001130205326 1201540831 /nfs/dbraw/zinc/54/08/31/1201540831.db2.gz VYGBEWRCXHBQCT-KBPBESRZSA-N 1 1 353.386 0.030 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 ZINC001130209664 1201542502 /nfs/dbraw/zinc/54/25/02/1201542502.db2.gz JPAUHPAKRNGMPL-OFQRWUPVSA-N 1 1 365.478 0.866 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](O)C(C)C)n[nH]1 ZINC001130209664 1201542506 /nfs/dbraw/zinc/54/25/06/1201542506.db2.gz JPAUHPAKRNGMPL-OFQRWUPVSA-N 1 1 365.478 0.866 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2C)n1 ZINC001130212753 1201545145 /nfs/dbraw/zinc/54/51/45/1201545145.db2.gz BCOIQPVWNISALU-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2C)n[nH]1 ZINC001130212753 1201545148 /nfs/dbraw/zinc/54/51/48/1201545148.db2.gz BCOIQPVWNISALU-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nnc2C)[nH]1 ZINC001130215734 1201546024 /nfs/dbraw/zinc/54/60/24/1201546024.db2.gz DJIRXSQTRXNXAL-ZFWWWQNUSA-N 1 1 369.429 0.237 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nnc2C)n[nH]1 ZINC001130215734 1201546029 /nfs/dbraw/zinc/54/60/29/1201546029.db2.gz DJIRXSQTRXNXAL-ZFWWWQNUSA-N 1 1 369.429 0.237 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cnc(C)o2)[nH]1 ZINC001130216398 1201547053 /nfs/dbraw/zinc/54/70/53/1201547053.db2.gz WLTBJTMSXRHJIR-KBPBESRZSA-N 1 1 358.402 0.055 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ncn2)n1 ZINC001130200777 1201549066 /nfs/dbraw/zinc/54/90/66/1201549066.db2.gz WORBKHHGRQFJKZ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)ncn2)n[nH]1 ZINC001130200777 1201549068 /nfs/dbraw/zinc/54/90/68/1201549068.db2.gz WORBKHHGRQFJKZ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(F)F)[nH]1 ZINC001130221155 1201550764 /nfs/dbraw/zinc/55/07/64/1201550764.db2.gz XJXSCLWSJTWEDO-AVGNSLFASA-N 1 1 367.400 0.952 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@@H]2C)n1 ZINC001130227763 1201554978 /nfs/dbraw/zinc/55/49/78/1201554978.db2.gz NTXZQMAIWHACMY-AJNGGQMLSA-N 1 1 363.462 0.742 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[C@@H]2C)n[nH]1 ZINC001130227763 1201554982 /nfs/dbraw/zinc/55/49/82/1201554982.db2.gz NTXZQMAIWHACMY-AJNGGQMLSA-N 1 1 363.462 0.742 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCF)n1 ZINC001130230516 1201556786 /nfs/dbraw/zinc/55/67/86/1201556786.db2.gz YGSMKJJCHBRYCH-KBPBESRZSA-N 1 1 369.441 0.835 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCF)n[nH]1 ZINC001130230516 1201556791 /nfs/dbraw/zinc/55/67/91/1201556791.db2.gz YGSMKJJCHBRYCH-KBPBESRZSA-N 1 1 369.441 0.835 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cnoc2)n1 ZINC001130230111 1201557002 /nfs/dbraw/zinc/55/70/02/1201557002.db2.gz MSWQYKIJWCTFTO-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cnoc2)n[nH]1 ZINC001130230111 1201557006 /nfs/dbraw/zinc/55/70/06/1201557006.db2.gz MSWQYKIJWCTFTO-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2occc2C)[nH]1 ZINC001130234690 1201558029 /nfs/dbraw/zinc/55/80/29/1201558029.db2.gz ICFCUQUETYAPKN-ZFWWWQNUSA-N 1 1 357.414 0.660 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]cc2F)[nH]1 ZINC001130232738 1201558205 /nfs/dbraw/zinc/55/82/05/1201558205.db2.gz PTZSTQUBXFTELE-JQWIXIFHSA-N 1 1 361.381 0.082 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2OCC[C@H]2C)n1 ZINC001130237934 1201560399 /nfs/dbraw/zinc/56/03/99/1201560399.db2.gz KNAVVRIWHPMGLV-HOSILWTGSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2C)n[nH]1 ZINC001130237934 1201560400 /nfs/dbraw/zinc/56/04/00/1201560400.db2.gz KNAVVRIWHPMGLV-HOSILWTGSA-N 1 1 363.462 0.884 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C3CC3)n[nH]2)[nH]1 ZINC001130240571 1201561516 /nfs/dbraw/zinc/56/15/16/1201561516.db2.gz VHRPOVVMPLYGLC-WFASDCNBSA-N 1 1 369.429 0.431 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nc(C)c[nH]2)n1 ZINC001130242313 1201562480 /nfs/dbraw/zinc/56/24/80/1201562480.db2.gz QTEOXVXAHBHCBG-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nc(C)c[nH]2)n[nH]1 ZINC001130242313 1201562483 /nfs/dbraw/zinc/56/24/83/1201562483.db2.gz QTEOXVXAHBHCBG-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC001130242398 1201562829 /nfs/dbraw/zinc/56/28/29/1201562829.db2.gz VFMXVIQJCKZUDM-JONQDZQNSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)Cc2ccco2)[nH]1 ZINC001130242295 1201562844 /nfs/dbraw/zinc/56/28/44/1201562844.db2.gz QAVITZLTBDCHFL-KBMXLJTQSA-N 1 1 371.441 0.988 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(OC)o2)n1 ZINC001130244205 1201563982 /nfs/dbraw/zinc/56/39/82/1201563982.db2.gz DFLYJWPFVRGQBI-AAEUAGOBSA-N 1 1 361.402 0.984 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(OC)o2)n[nH]1 ZINC001130244205 1201563986 /nfs/dbraw/zinc/56/39/86/1201563986.db2.gz DFLYJWPFVRGQBI-AAEUAGOBSA-N 1 1 361.402 0.984 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(C)c2)n1 ZINC001130245237 1201564706 /nfs/dbraw/zinc/56/47/06/1201564706.db2.gz WXIXCWRAOYGCFE-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(C)c2)n[nH]1 ZINC001130245237 1201564708 /nfs/dbraw/zinc/56/47/08/1201564708.db2.gz WXIXCWRAOYGCFE-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C2CC2)C2CC2)[nH]1 ZINC001130245994 1201566188 /nfs/dbraw/zinc/56/61/88/1201566188.db2.gz AUCZUVWXNMOUFS-GJZGRUSLSA-N 1 1 357.458 0.952 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(C)n2)n1 ZINC001130249161 1201568355 /nfs/dbraw/zinc/56/83/55/1201568355.db2.gz MWGYCRDTYIWVGD-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)n2)n[nH]1 ZINC001130249161 1201568359 /nfs/dbraw/zinc/56/83/59/1201568359.db2.gz MWGYCRDTYIWVGD-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]cc2C)[nH]1 ZINC001130249134 1201568823 /nfs/dbraw/zinc/56/88/23/1201568823.db2.gz LINTYDFPEGQLJL-ZFWWWQNUSA-N 1 1 356.430 0.857 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430726 1201590094 /nfs/dbraw/zinc/59/00/94/1201590094.db2.gz HBYHUXSSVMZWQX-HYVNUMGLSA-N 1 1 369.469 0.611 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430726 1201590098 /nfs/dbraw/zinc/59/00/98/1201590098.db2.gz HBYHUXSSVMZWQX-HYVNUMGLSA-N 1 1 369.469 0.611 20 30 FCEDMO C=CCCN(OCc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000806058135 1201596880 /nfs/dbraw/zinc/59/68/80/1201596880.db2.gz HBSGPIWDGFVGBA-SFHVURJKSA-N 1 1 374.485 0.885 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001220000207 1224722536 /nfs/dbraw/zinc/72/25/36/1224722536.db2.gz DATIRTVVZFFLQS-ZBFHGGJFSA-N 1 1 360.414 0.320 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001220000207 1224722538 /nfs/dbraw/zinc/72/25/38/1224722538.db2.gz DATIRTVVZFFLQS-ZBFHGGJFSA-N 1 1 360.414 0.320 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccoc2)[C@@H](O)C1 ZINC001220051888 1224738645 /nfs/dbraw/zinc/73/86/45/1224738645.db2.gz OIXJTKVCOQTGFM-CVEARBPZSA-N 1 1 360.414 0.658 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130568474 1202719885 /nfs/dbraw/zinc/71/98/85/1202719885.db2.gz PICAIZPLGPHNNB-DOTOQJQBSA-N 1 1 369.473 0.826 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001130578025 1202720821 /nfs/dbraw/zinc/72/08/21/1202720821.db2.gz AKQLJISUITVCPW-YQQAZPJKSA-N 1 1 369.473 0.997 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130587324 1202724087 /nfs/dbraw/zinc/72/40/87/1202724087.db2.gz KAJXTCKGRCJNPM-DOTOQJQBSA-N 1 1 357.414 0.532 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130600907 1202725924 /nfs/dbraw/zinc/72/59/24/1202725924.db2.gz RYPRTBDYWXVTAH-WMLDXEAASA-N 1 1 363.425 0.913 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130635098 1202740184 /nfs/dbraw/zinc/74/01/84/1202740184.db2.gz IUQJMVIOVRCYHH-DOTOQJQBSA-N 1 1 355.446 0.468 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130712786 1202759762 /nfs/dbraw/zinc/75/97/62/1202759762.db2.gz LVGWTGJEFTYUDU-QWQRMKEZSA-N 1 1 369.473 0.803 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130712786 1202759765 /nfs/dbraw/zinc/75/97/65/1202759765.db2.gz LVGWTGJEFTYUDU-QWQRMKEZSA-N 1 1 369.473 0.803 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n(C)n3)n[nH]2)O1 ZINC001130759633 1202781128 /nfs/dbraw/zinc/78/11/28/1202781128.db2.gz CFNKVYCWVHZTSC-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)nn3C)n[nH]2)O1 ZINC001130760040 1202782371 /nfs/dbraw/zinc/78/23/71/1202782371.db2.gz VOQWXMBMGVMKSL-GXTWGEPZSA-N 1 1 359.434 0.772 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCOC3)n[nH]2)O1 ZINC001130769300 1202786084 /nfs/dbraw/zinc/78/60/84/1202786084.db2.gz BOFKMMJCMXCMBP-QLFBSQMISA-N 1 1 361.446 0.681 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@H]3CCC[N@H+]3C)[n-]2)O1 ZINC001130772673 1202787850 /nfs/dbraw/zinc/78/78/50/1202787850.db2.gz XGYFTLWFMZFFPJ-RRFJBIMHSA-N 1 1 360.462 0.348 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OCC)C(C)C)n[nH]2)O1 ZINC001130785424 1202789471 /nfs/dbraw/zinc/78/94/71/1202789471.db2.gz LXXCLTAPUVYTAK-LZWOXQAQSA-N 1 1 363.462 0.925 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[nH]2)O1 ZINC001130777179 1202791217 /nfs/dbraw/zinc/79/12/17/1202791217.db2.gz VNUGJMZSZLWQDU-YKHJJTLOSA-N 1 1 354.414 0.905 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130778300 1202791634 /nfs/dbraw/zinc/79/16/34/1202791634.db2.gz PYMGVHSRLOWKLG-PMUMKWKESA-N 1 1 363.462 0.968 20 30 FCEDMO 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C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001211025237 1223718879 /nfs/dbraw/zinc/71/88/79/1223718879.db2.gz GSNSLOKPXBDOQD-VNHYZAJKSA-N 1 1 361.446 0.774 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001211025237 1223718882 /nfs/dbraw/zinc/71/88/82/1223718882.db2.gz GSNSLOKPXBDOQD-VNHYZAJKSA-N 1 1 361.446 0.774 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001211021232 1223719086 /nfs/dbraw/zinc/71/90/86/1223719086.db2.gz VWUPFZXURNFRBG-CXAGYDPISA-N 1 1 368.437 0.976 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001211021232 1223719088 /nfs/dbraw/zinc/71/90/88/1223719088.db2.gz VWUPFZXURNFRBG-CXAGYDPISA-N 1 1 368.437 0.976 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)COc2ccccc2)C1 ZINC001211066856 1223723667 /nfs/dbraw/zinc/72/36/67/1223723667.db2.gz UVKVRIWNKZQACI-JFIYKMOQSA-N 1 1 357.454 0.887 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)COc2ccccc2)C1 ZINC001211066856 1223723670 /nfs/dbraw/zinc/72/36/70/1223723670.db2.gz UVKVRIWNKZQACI-JFIYKMOQSA-N 1 1 357.454 0.887 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC001211073945 1223724228 /nfs/dbraw/zinc/72/42/28/1223724228.db2.gz XFFVJBFWHSBUKY-DVOMOZLQSA-N 1 1 353.426 0.751 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC001211073945 1223724231 /nfs/dbraw/zinc/72/42/31/1223724231.db2.gz XFFVJBFWHSBUKY-DVOMOZLQSA-N 1 1 353.426 0.751 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001211163127 1223727959 /nfs/dbraw/zinc/72/79/59/1223727959.db2.gz FPQYNYLYHABUOU-RHSMWYFYSA-N 1 1 359.426 0.251 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COc2ccc(C(N)=O)cc2)C1 ZINC001211163127 1223727964 /nfs/dbraw/zinc/72/79/64/1223727964.db2.gz FPQYNYLYHABUOU-RHSMWYFYSA-N 1 1 359.426 0.251 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001211194831 1223730313 /nfs/dbraw/zinc/73/03/13/1223730313.db2.gz MKVGPUOCQLHXFI-WQVCFCJDSA-N 1 1 361.417 0.868 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cccc(F)c3O2)C1 ZINC001211194831 1223730316 /nfs/dbraw/zinc/73/03/16/1223730316.db2.gz MKVGPUOCQLHXFI-WQVCFCJDSA-N 1 1 361.417 0.868 20 30 FCEDMO C=CCCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001211422397 1223740696 /nfs/dbraw/zinc/74/06/96/1223740696.db2.gz HYFOAYZOAQVSLV-RBSFLKMASA-N 1 1 368.478 0.638 20 30 FCEDMO C=CCCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1C ZINC001211422397 1223740699 /nfs/dbraw/zinc/74/06/99/1223740699.db2.gz HYFOAYZOAQVSLV-RBSFLKMASA-N 1 1 368.478 0.638 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001211460766 1223745194 /nfs/dbraw/zinc/74/51/94/1223745194.db2.gz DRNSGDNGCIQJBQ-SJLPKXTDSA-N 1 1 359.470 0.984 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001211460766 1223745195 /nfs/dbraw/zinc/74/51/95/1223745195.db2.gz DRNSGDNGCIQJBQ-SJLPKXTDSA-N 1 1 359.470 0.984 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001211465114 1223746330 /nfs/dbraw/zinc/74/63/30/1223746330.db2.gz ANOATBFLERKMFD-ZHALLVOQSA-N 1 1 371.481 0.820 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCCc2ccccc2)C1 ZINC001211465114 1223746335 /nfs/dbraw/zinc/74/63/35/1223746335.db2.gz ANOATBFLERKMFD-ZHALLVOQSA-N 1 1 371.481 0.820 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001211478352 1223748999 /nfs/dbraw/zinc/74/89/99/1223748999.db2.gz OYGQPGGTOCJDFL-VNHYZAJKSA-N 1 1 361.446 0.616 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001211478352 1223749001 /nfs/dbraw/zinc/74/90/01/1223749001.db2.gz OYGQPGGTOCJDFL-VNHYZAJKSA-N 1 1 361.446 0.616 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)[C@H](OC)C1 ZINC001213134825 1223753122 /nfs/dbraw/zinc/75/31/22/1223753122.db2.gz JMFNSDDQQYVBBA-SJLPKXTDSA-N 1 1 364.417 0.842 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(OC)c(F)c2)[C@H](OC)C1 ZINC001213134825 1223753126 /nfs/dbraw/zinc/75/31/26/1223753126.db2.gz JMFNSDDQQYVBBA-SJLPKXTDSA-N 1 1 364.417 0.842 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)[C@H](OC)C1 ZINC001213144936 1223755845 /nfs/dbraw/zinc/75/58/45/1223755845.db2.gz CBSGIJQLVNMERS-KZNAEPCWSA-N 1 1 367.490 0.699 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2c(OC)ccnc2OC)[C@H](OC)C1 ZINC001213156064 1223758971 /nfs/dbraw/zinc/75/89/71/1223758971.db2.gz HDLPUYVHVXGACQ-UKRRQHHQSA-N 1 1 365.430 0.730 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2c(OC)ccnc2OC)[C@H](OC)C1 ZINC001213156064 1223758972 /nfs/dbraw/zinc/75/89/72/1223758972.db2.gz HDLPUYVHVXGACQ-UKRRQHHQSA-N 1 1 365.430 0.730 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)[C@H](OC)C1 ZINC001213198576 1223766351 /nfs/dbraw/zinc/76/63/51/1223766351.db2.gz BXQDJIQAHQYTFE-HUUCEWRRSA-N 1 1 359.430 0.898 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2[C@H]2CCCO2)[C@H](OC)C1 ZINC001213326103 1223784729 /nfs/dbraw/zinc/78/47/29/1223784729.db2.gz WZCPAWWNURQPHO-BZUAXINKSA-N 1 1 364.446 0.893 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn3cc(C)cnc23)[C@H](OC)C1 ZINC001213500538 1223806313 /nfs/dbraw/zinc/80/63/13/1223806313.db2.gz WHBGDFSCBXGHDI-HZPDHXFCSA-N 1 1 359.430 0.669 20 30 FCEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1OC ZINC001213537790 1223810698 /nfs/dbraw/zinc/81/06/98/1223810698.db2.gz RSQJYGGDKXITBR-RCCFBDPRSA-N 1 1 367.490 0.699 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCN2C(C)=O)[C@H](OC)C1 ZINC001213561507 1223813899 /nfs/dbraw/zinc/81/38/99/1223813899.db2.gz ALDOYMFVDYQYPH-RCCFBDPRSA-N 1 1 367.490 0.796 20 30 FCEDMO C#CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213589027 1223819531 /nfs/dbraw/zinc/81/95/31/1223819531.db2.gz ZPJNXTJNQHVUMF-IAGOWNOFSA-N 1 1 366.506 0.063 20 30 FCEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](OC)C1 ZINC001213715169 1223837795 /nfs/dbraw/zinc/83/77/95/1223837795.db2.gz JQMSSENSCGWRPZ-HUUCEWRRSA-N 1 1 368.478 0.666 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001213829645 1223856721 /nfs/dbraw/zinc/85/67/21/1223856721.db2.gz XUJPCBOAEZKSSV-RBSFLKMASA-N 1 1 366.462 0.536 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C[C@H]1C ZINC001214819225 1223945446 /nfs/dbraw/zinc/94/54/46/1223945446.db2.gz JMPWKVRQCZHMNE-CXAGYDPISA-N 1 1 368.441 0.215 20 30 FCEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@H]1C ZINC001214969512 1223960691 /nfs/dbraw/zinc/96/06/91/1223960691.db2.gz UDHINVHIDGHMEY-ZACQAIPSSA-N 1 1 363.506 0.669 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@H]1C ZINC001215006683 1223963680 /nfs/dbraw/zinc/96/36/80/1223963680.db2.gz ZJGIJNXYQKCZFX-SUYBPPKGSA-N 1 1 359.474 0.562 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1C ZINC001216413184 1224049015 /nfs/dbraw/zinc/04/90/15/1224049015.db2.gz FHGBEXXQFCAGHS-IIAWOOMASA-N 1 1 357.458 0.336 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1C ZINC001216413840 1224049745 /nfs/dbraw/zinc/04/97/45/1224049745.db2.gz UFDMAQCULYFEAE-IIAWOOMASA-N 1 1 359.474 0.888 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@H]1C ZINC001216756261 1224068937 /nfs/dbraw/zinc/06/89/37/1224068937.db2.gz ZSPKZZQBTIKTCO-PBFPGSCMSA-N 1 1 369.425 0.858 20 30 FCEDMO C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001216846788 1224078719 /nfs/dbraw/zinc/07/87/19/1224078719.db2.gz ZKNNRLBIPGYKEV-TZMCWYRMSA-N 1 1 363.466 0.015 20 30 FCEDMO C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001216846654 1224078797 /nfs/dbraw/zinc/07/87/97/1224078797.db2.gz RSZGQDLORFLQNK-DGCLKSJQSA-N 1 1 363.466 0.313 20 30 FCEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001276750990 1224085883 /nfs/dbraw/zinc/08/58/83/1224085883.db2.gz YTDKBEQKNSKGTA-IBGZPJMESA-N 1 1 357.410 0.639 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1=O ZINC000985478957 1248932435 /nfs/dbraw/zinc/93/24/35/1248932435.db2.gz QJZMCODFWMNWND-UAGQMJEPSA-N 1 1 365.474 0.500 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@]2(C)C1 ZINC000993213845 1249381891 /nfs/dbraw/zinc/38/18/91/1249381891.db2.gz ZIXAYGFVFUMFQY-VCBZYWHSSA-N 1 1 370.457 0.131 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]nc3C)C[C@]2(C)C1 ZINC000993213845 1249381898 /nfs/dbraw/zinc/38/18/98/1249381898.db2.gz ZIXAYGFVFUMFQY-VCBZYWHSSA-N 1 1 370.457 0.131 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@]2(C)C1 ZINC000993274763 1249420432 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CC(C)(C)n1nnc(CC[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075780261 1188349201 /nfs/dbraw/zinc/34/92/01/1188349201.db2.gz HKGIHABPTNINNY-JKSUJKDBSA-N 1 1 356.474 0.917 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4ccn(C)n4)[C@@H]3C2)C1=O ZINC001075783969 1188355393 /nfs/dbraw/zinc/35/53/93/1188355393.db2.gz XVCXPVOWSBLVSN-BHYGNILZSA-N 1 1 357.458 0.282 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cncn1C ZINC000983895494 1188382671 /nfs/dbraw/zinc/38/26/71/1188382671.db2.gz ZELFCZKMQOMLFU-IKGGRYGDSA-N 1 1 371.485 0.875 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cncn1C ZINC000983895494 1188382674 /nfs/dbraw/zinc/38/26/74/1188382674.db2.gz ZELFCZKMQOMLFU-IKGGRYGDSA-N 1 1 371.485 0.875 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H]1CC ZINC001691516162 1188400827 /nfs/dbraw/zinc/40/08/27/1188400827.db2.gz XAGCQMQVSYENAS-GXTWGEPZSA-N 1 1 362.434 0.015 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C)n2)[C@H]1CC ZINC001691516162 1188400831 /nfs/dbraw/zinc/40/08/31/1188400831.db2.gz XAGCQMQVSYENAS-GXTWGEPZSA-N 1 1 362.434 0.015 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001029311777 1189372545 /nfs/dbraw/zinc/37/25/45/1189372545.db2.gz DFYQAMQZIRKVHJ-LEOABGAYSA-N 1 1 361.442 0.448 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nnn(C)c3C)[C@H]2CC)C1=O ZINC001087528747 1189382419 /nfs/dbraw/zinc/38/24/19/1189382419.db2.gz YSKNHRJJQBSTKF-RRFJBIMHSA-N 1 1 360.462 0.493 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001087535193 1189444641 /nfs/dbraw/zinc/44/46/41/1189444641.db2.gz XJGUGKFIEICWON-GOEBONIOSA-N 1 1 359.430 0.328 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CC(=O)N1CCOCC1 ZINC001087535193 1189444651 /nfs/dbraw/zinc/44/46/51/1189444651.db2.gz XJGUGKFIEICWON-GOEBONIOSA-N 1 1 359.430 0.328 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087606617 1189654028 /nfs/dbraw/zinc/65/40/28/1189654028.db2.gz ICXAZGLDKAZUOS-HRCADAONSA-N 1 1 369.425 0.625 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087631734 1189680632 /nfs/dbraw/zinc/68/06/32/1189680632.db2.gz RQZBWEYMAIMQSC-DLBZAZTESA-N 1 1 368.441 0.623 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087690512 1189758984 /nfs/dbraw/zinc/75/89/84/1189758984.db2.gz FQICMPRCCNZDRM-JKSUJKDBSA-N 1 1 356.405 0.984 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087690512 1189759006 /nfs/dbraw/zinc/75/90/06/1189759006.db2.gz FQICMPRCCNZDRM-JKSUJKDBSA-N 1 1 356.405 0.984 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087708307 1189789297 /nfs/dbraw/zinc/78/92/97/1189789297.db2.gz XMMDNJKTQQBOCT-ARFHVFGLSA-N 1 1 359.405 0.848 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001087708307 1189789315 /nfs/dbraw/zinc/78/93/15/1189789315.db2.gz XMMDNJKTQQBOCT-ARFHVFGLSA-N 1 1 359.405 0.848 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)[C@@H]2CC)c1 ZINC001087718984 1189800920 /nfs/dbraw/zinc/80/09/20/1189800920.db2.gz UMRABFMUJVETSP-GBESFXJTSA-N 1 1 367.453 0.903 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2CC)cn1 ZINC001087801221 1189831150 /nfs/dbraw/zinc/83/11/50/1189831150.db2.gz DACNATMQADICCI-DLBZAZTESA-N 1 1 368.437 0.795 20 30 FCEDMO COc1cccc(OCC[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1 ZINC001083418040 1189842961 /nfs/dbraw/zinc/84/29/61/1189842961.db2.gz OQCRCRYLHUTGGT-MSOLQXFVSA-N 1 1 370.409 0.749 20 30 FCEDMO COc1cccc(OCC[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1 ZINC001083418040 1189842962 /nfs/dbraw/zinc/84/29/62/1189842962.db2.gz OQCRCRYLHUTGGT-MSOLQXFVSA-N 1 1 370.409 0.749 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@@H]3C2)C1=O ZINC001087880333 1189871570 /nfs/dbraw/zinc/87/15/70/1189871570.db2.gz CMGJZFIIEQUNDE-HYVNUMGLSA-N 1 1 357.458 0.601 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4n[nH]cc4C)C[C@@H]3C2)C1=O ZINC001087961349 1190002577 /nfs/dbraw/zinc/00/25/77/1190002577.db2.gz PACVMGRUBSHUCW-OWCLPIDISA-N 1 1 357.458 0.899 20 30 FCEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)C[C@@H]2C1 ZINC001087964310 1190009542 /nfs/dbraw/zinc/00/95/42/1190009542.db2.gz GPEHRVCANAUODV-OAGGEKHMSA-N 1 1 355.442 0.566 20 30 FCEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(OCC(N)=O)c3)C[C@@H]2C1 ZINC001087985797 1190107433 /nfs/dbraw/zinc/10/74/33/1190107433.db2.gz FGDVEPZNVLTOIE-SJORKVTESA-N 1 1 355.438 0.968 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000984789751 1190132116 /nfs/dbraw/zinc/13/21/16/1190132116.db2.gz DDKOETXHOMTJML-VJUNAUMWSA-N 1 1 373.457 0.715 20 30 FCEDMO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000984789751 1190132118 /nfs/dbraw/zinc/13/21/18/1190132118.db2.gz DDKOETXHOMTJML-VJUNAUMWSA-N 1 1 373.457 0.715 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cncnc3)[C@@H](O)C2)cc1 ZINC001083421620 1190166147 /nfs/dbraw/zinc/16/61/47/1190166147.db2.gz ITVDFIUHOYCWOX-SJORKVTESA-N 1 1 353.382 0.354 20 30 FCEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cncnc3)[C@@H](O)C2)cc1 ZINC001083421620 1190166151 /nfs/dbraw/zinc/16/61/51/1190166151.db2.gz ITVDFIUHOYCWOX-SJORKVTESA-N 1 1 353.382 0.354 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nc(C)no3)C[C@H]2C1 ZINC001087998222 1190174538 /nfs/dbraw/zinc/17/45/38/1190174538.db2.gz XVUUZVSCHVBLHH-IKGGRYGDSA-N 1 1 357.458 0.756 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3nc(C)no3)C[C@H]2C1 ZINC001087998222 1190174541 /nfs/dbraw/zinc/17/45/41/1190174541.db2.gz XVUUZVSCHVBLHH-IKGGRYGDSA-N 1 1 357.458 0.756 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4cnc[nH]c4=O)C[C@@H]3C2)C1=O ZINC001088006933 1190195449 /nfs/dbraw/zinc/19/54/49/1190195449.db2.gz LDELVBBTJMWGHP-IJEWVQPXSA-N 1 1 371.441 0.363 20 30 FCEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC001088033422 1190275949 /nfs/dbraw/zinc/27/59/49/1190275949.db2.gz JBFHFCRLKCPRQW-SJORKVTESA-N 1 1 355.438 0.968 20 30 FCEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OCC(N)=O)cc3)C[C@@H]2C1 ZINC001088033411 1190276241 /nfs/dbraw/zinc/27/62/41/1190276241.db2.gz INLNGVWJUSHKBD-SJORKVTESA-N 1 1 355.438 0.968 20 30 FCEDMO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2CC)nn1 ZINC000984944487 1190313307 /nfs/dbraw/zinc/31/33/07/1190313307.db2.gz CKAFYZMEGVIQHO-PNBKFKSVSA-N 1 1 374.489 0.914 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]nc4C)C[C@@H]3C2)C1=O ZINC001088060499 1190330597 /nfs/dbraw/zinc/33/05/97/1190330597.db2.gz HXDGGZJYZORKHM-HLLBOEOZSA-N 1 1 357.458 0.899 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1CC ZINC000985047187 1190480929 /nfs/dbraw/zinc/48/09/29/1190480929.db2.gz GGSBGRAAACFTCB-BBWFWOEESA-N 1 1 355.442 0.684 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cncnc2)[C@@H]1CC ZINC000985047187 1190480932 /nfs/dbraw/zinc/48/09/32/1190480932.db2.gz GGSBGRAAACFTCB-BBWFWOEESA-N 1 1 355.442 0.684 20 30 FCEDMO C=C(C)CN1CC2(CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C2)OCC1=O ZINC001271399117 1190553785 /nfs/dbraw/zinc/55/37/85/1190553785.db2.gz FMAVXJFQTDQCTL-UHFFFAOYSA-N 1 1 355.398 0.775 20 30 FCEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(n4cnnn4)CCOCC3)C[C@@H]2C1 ZINC001088135763 1190642416 /nfs/dbraw/zinc/64/24/16/1190642416.db2.gz ASHQZDSUBFVFSA-CVEARBPZSA-N 1 1 360.462 0.535 20 30 FCEDMO CO/N=C(\C(=O)N1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1)c1ccco1 ZINC001271787207 1190700284 /nfs/dbraw/zinc/70/02/84/1190700284.db2.gz AHJRFPPQWLWOTG-MNDPQUGUSA-N 1 1 362.430 0.643 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnn5c4CCC5)[C@@H]3C2)C1=O ZINC001075862222 1190700770 /nfs/dbraw/zinc/70/07/70/1190700770.db2.gz BUHMIVYRCJMWFE-BMGDILEWSA-N 1 1 369.469 0.763 20 30 FCEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001029841684 1190728947 /nfs/dbraw/zinc/72/89/47/1190728947.db2.gz LACLIBIARMHNDA-FHLIZLRMSA-N 1 1 370.453 0.871 20 30 FCEDMO Cc1nnc(CC(=O)N2CC3(C2)CC[N@H+](Cc2cc(C#N)n(C)c2)C3)[nH]1 ZINC001271889052 1190745297 /nfs/dbraw/zinc/74/52/97/1190745297.db2.gz RQZYUWZCJQCMSV-UHFFFAOYSA-N 1 1 353.430 0.600 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCN2CCNC2=O)CC1 ZINC000985694087 1190775580 /nfs/dbraw/zinc/77/55/80/1190775580.db2.gz GYHZDHRADCJAFB-IRXDYDNUSA-N 1 1 364.490 0.916 20 30 FCEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[N@H+](C)CCO4)C[C@@H]3C2)C1 ZINC000985867174 1190838373 /nfs/dbraw/zinc/83/83/73/1190838373.db2.gz AJCNXSYRDRHWTI-IKGGRYGDSA-N 1 1 361.486 0.980 20 30 FCEDMO 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CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCO2)[nH]1 ZINC001130187996 1201528800 /nfs/dbraw/zinc/52/88/00/1201528800.db2.gz TZCHVYQHTGIVLW-ILXRZTDVSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130190953 1201530545 /nfs/dbraw/zinc/53/05/45/1201530545.db2.gz WDIBHRXHOKKSKG-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130190953 1201530550 /nfs/dbraw/zinc/53/05/50/1201530550.db2.gz WDIBHRXHOKKSKG-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]c(C)c2C)n1 ZINC001130195938 1201533028 /nfs/dbraw/zinc/53/30/28/1201533028.db2.gz JRNJCLDWGOWWAK-STQMWFEESA-N 1 1 359.434 0.723 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cc(C)on2)[nH]1 ZINC001130198452 1201533519 /nfs/dbraw/zinc/53/35/19/1201533519.db2.gz LPJPTNMIGJNQMG-KBPBESRZSA-N 1 1 358.402 0.055 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCCO2)[nH]1 ZINC001130198439 1201534023 /nfs/dbraw/zinc/53/40/23/1201534023.db2.gz LEYMJAVVFQKUMP-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2C)[nH]1 ZINC001130184643 1201536913 /nfs/dbraw/zinc/53/69/13/1201536913.db2.gz CJEGDOMQYKIMEU-ZFWWWQNUSA-N 1 1 356.430 0.559 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCCO2)[nH]1 ZINC001130184825 1201536956 /nfs/dbraw/zinc/53/69/56/1201536956.db2.gz HXUMKWZHLQXZLR-ILXRZTDVSA-N 1 1 361.446 0.475 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(C)n2)n1 ZINC001130205203 1201541045 /nfs/dbraw/zinc/54/10/45/1201541045.db2.gz UTLFJGAHZMAPPW-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(C)n2)n[nH]1 ZINC001130205203 1201541053 /nfs/dbraw/zinc/54/10/53/1201541053.db2.gz UTLFJGAHZMAPPW-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ncc[nH]2)[nH]1 ZINC001130207625 1201541560 /nfs/dbraw/zinc/54/15/60/1201541560.db2.gz JJVRQXMZRCKYBH-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC=C)n[nH]1 ZINC001130207908 1201543224 /nfs/dbraw/zinc/54/32/24/1201543224.db2.gz VQXYMYCRCCWEBG-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC=C)n1 ZINC001130207908 1201543228 /nfs/dbraw/zinc/54/32/28/1201543228.db2.gz VQXYMYCRCCWEBG-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C2CC2)n1 ZINC001130210115 1201543831 /nfs/dbraw/zinc/54/38/31/1201543831.db2.gz XFSJHQTVKQHUOU-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C2CC2)n[nH]1 ZINC001130210115 1201543835 /nfs/dbraw/zinc/54/38/35/1201543835.db2.gz XFSJHQTVKQHUOU-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO COCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209845 1201543976 /nfs/dbraw/zinc/54/39/76/1201543976.db2.gz NTKYCULAQRCMQF-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO COCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209845 1201543978 /nfs/dbraw/zinc/54/39/78/1201543978.db2.gz NTKYCULAQRCMQF-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]cc2C)[nH]1 ZINC001130210201 1201543986 /nfs/dbraw/zinc/54/39/86/1201543986.db2.gz ZFZWLPILOKNTGI-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[n-]1 ZINC001130212947 1201544818 /nfs/dbraw/zinc/54/48/18/1201544818.db2.gz MFPQZJULLBNJTK-WCVJEAGWSA-N 1 1 374.489 0.247 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[n-]1 ZINC001130212947 1201544822 /nfs/dbraw/zinc/54/48/22/1201544822.db2.gz MFPQZJULLBNJTK-WCVJEAGWSA-N 1 1 374.489 0.247 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(F)c2)[nH]1 ZINC001130200318 1201547760 /nfs/dbraw/zinc/54/77/60/1201547760.db2.gz HTWUJYZXKANOIX-KBPBESRZSA-N 1 1 358.377 0.364 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(F)c2)n[nH]1 ZINC001130200318 1201547764 /nfs/dbraw/zinc/54/77/64/1201547764.db2.gz HTWUJYZXKANOIX-KBPBESRZSA-N 1 1 358.377 0.364 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCCO2)[nH]1 ZINC001130200689 1201548884 /nfs/dbraw/zinc/54/88/84/1201548884.db2.gz RXYHSPXPKWCPRK-ZNMIVQPWSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n[nH]1 ZINC001130203010 1201549647 /nfs/dbraw/zinc/54/96/47/1201549647.db2.gz PLNGYZBUJAAVLA-RDBSUJKOSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](F)CC)n1 ZINC001130203010 1201549649 /nfs/dbraw/zinc/54/96/49/1201549649.db2.gz PLNGYZBUJAAVLA-RDBSUJKOSA-N 1 1 369.441 0.834 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@](C)(O)C2CC2)[nH]1 ZINC001130203016 1201550130 /nfs/dbraw/zinc/55/01/30/1201550130.db2.gz PNEOTPKQHVOUMU-DEYYWGMASA-N 1 1 361.446 0.067 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2C(C)C)[nH]1 ZINC001130221077 1201550613 /nfs/dbraw/zinc/55/06/13/1201550613.db2.gz SRACIHYCNCBANG-JSGCOSHPSA-N 1 1 371.445 0.677 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)[nH]c2C)[nH]1 ZINC001130239971 1201550820 /nfs/dbraw/zinc/55/08/20/1201550820.db2.gz FZBDQDWUYPIOOE-ZFWWWQNUSA-N 1 1 356.430 0.775 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)[nH]c2C)n[nH]1 ZINC001130239971 1201550822 /nfs/dbraw/zinc/55/08/22/1201550822.db2.gz FZBDQDWUYPIOOE-ZFWWWQNUSA-N 1 1 356.430 0.775 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC(F)F)[nH]1 ZINC001130225132 1201554529 /nfs/dbraw/zinc/55/45/29/1201554529.db2.gz UKPXYHIBJPOPDH-RYUDHWBXSA-N 1 1 371.388 0.188 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(OC)ccn2)[nH]1 ZINC001130227804 1201555350 /nfs/dbraw/zinc/55/53/50/1201555350.db2.gz QFJUJQPPZCUXDK-ZFWWWQNUSA-N 1 1 370.413 0.234 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccccn2)[nH]1 ZINC001130228002 1201555492 /nfs/dbraw/zinc/55/54/92/1201555492.db2.gz ZFGOQSNTOAHZHM-HOTGVXAUSA-N 1 1 368.441 0.544 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2C2CC2)[nH]1 ZINC001130237753 1201560154 /nfs/dbraw/zinc/56/01/54/1201560154.db2.gz CSPXPSKXPHUVEV-STQMWFEESA-N 1 1 370.413 0.695 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(CC)nc2C)[nH]1 ZINC001130242113 1201562537 /nfs/dbraw/zinc/56/25/37/1201562537.db2.gz GEBMXKSIEQENHY-ZFWWWQNUSA-N 1 1 371.445 0.355 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(CC)nc2C)n[nH]1 ZINC001130242113 1201562539 /nfs/dbraw/zinc/56/25/39/1201562539.db2.gz GEBMXKSIEQENHY-ZFWWWQNUSA-N 1 1 371.445 0.355 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2cn[nH]c2)[nH]1 ZINC001130242241 1201562744 /nfs/dbraw/zinc/56/27/44/1201562744.db2.gz NQKZBPVQJNDRDI-GJZGRUSLSA-N 1 1 371.445 0.262 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCCOC)n1 ZINC001130244602 1201563753 /nfs/dbraw/zinc/56/37/53/1201563753.db2.gz LFWIKOJKLQNJIZ-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OCCOC)n[nH]1 ZINC001130244602 1201563755 /nfs/dbraw/zinc/56/37/55/1201563755.db2.gz LFWIKOJKLQNJIZ-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)nc(C)n2)n1 ZINC001130246383 1201566650 /nfs/dbraw/zinc/56/66/50/1201566650.db2.gz IWZSJKDJSFHHMB-ZFWWWQNUSA-N 1 1 371.445 0.790 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nc(C)n2)n[nH]1 ZINC001130246383 1201566654 /nfs/dbraw/zinc/56/66/54/1201566654.db2.gz IWZSJKDJSFHHMB-ZFWWWQNUSA-N 1 1 371.445 0.790 20 30 FCEDMO 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N#CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130405988 1201589196 /nfs/dbraw/zinc/58/91/96/1201589196.db2.gz UELKXGXGLSZTFU-ZBQZNYHESA-N 1 1 370.457 0.645 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001219939812 1224692430 /nfs/dbraw/zinc/69/24/30/1224692430.db2.gz OSFQWKGBRZJNDI-CVEARBPZSA-N 1 1 357.414 0.449 20 30 FCEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@@H](O)C1 ZINC001219947603 1224695370 /nfs/dbraw/zinc/69/53/70/1224695370.db2.gz NJAMCSDNKKYDRY-SJORKVTESA-N 1 1 368.522 0.351 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001219970546 1224706976 /nfs/dbraw/zinc/70/69/76/1224706976.db2.gz RBSOWQKAJVEKFR-BMFZPTHFSA-N 1 1 364.446 0.019 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130568592 1202719937 /nfs/dbraw/zinc/71/99/37/1202719937.db2.gz SECQGRYJUZAJID-DOTOQJQBSA-N 1 1 369.473 0.826 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130583613 1202722730 /nfs/dbraw/zinc/72/27/30/1202722730.db2.gz IWKFGHKGGXAUPV-DOTOQJQBSA-N 1 1 355.446 0.292 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130586901 1202723303 /nfs/dbraw/zinc/72/33/03/1202723303.db2.gz BZXFGEJGYPWQQZ-DOTOQJQBSA-N 1 1 370.457 0.278 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001130593197 1202726985 /nfs/dbraw/zinc/72/69/85/1202726985.db2.gz VEQKFBJNHSPNJN-QANKJYHBSA-N 1 1 371.441 0.839 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130593221 1202727053 /nfs/dbraw/zinc/72/70/53/1202727053.db2.gz WCBUVHXGRMHPPT-UWWQBHOKSA-N 1 1 370.457 0.276 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCCC=C)n[nH]2)O1 ZINC001130762207 1202779119 /nfs/dbraw/zinc/77/91/19/1202779119.db2.gz OYUSFVBMRBJJAM-SOUVJXGZSA-N 1 1 361.446 0.845 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3cncn3)n[nH]2)O1 ZINC001130762430 1202779310 /nfs/dbraw/zinc/77/93/10/1202779310.db2.gz VOUFNURXLAJPFO-QWHCGFSZSA-N 1 1 360.422 0.098 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC)n[nH]2)O1 ZINC001130758363 1202781010 /nfs/dbraw/zinc/78/10/10/1202781010.db2.gz ZCZYRCZBMZXWSO-UONOGXRCSA-N 1 1 367.450 0.470 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)n3)n[nH]2)O1 ZINC001130759683 1202781469 /nfs/dbraw/zinc/78/14/69/1202781469.db2.gz FOVCEVIZCGNUNP-DZGCQCFKSA-N 1 1 354.414 0.881 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c(=O)c3)n[nH]2)O1 ZINC001130775519 1202783597 /nfs/dbraw/zinc/78/35/97/1202783597.db2.gz ZKNQLMNZGLYIOM-QWHCGFSZSA-N 1 1 356.386 0.278 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCO3)n[nH]2)O1 ZINC001130765396 1202784542 /nfs/dbraw/zinc/78/45/42/1202784542.db2.gz QFUBKCCEMSERGH-SOUVJXGZSA-N 1 1 361.446 0.823 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCO3)n[nH]2)O1 ZINC001130765483 1202784605 /nfs/dbraw/zinc/78/46/05/1202784605.db2.gz UUALTGGEMZZBJX-SOUVJXGZSA-N 1 1 361.446 0.823 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=COCCC3)n[nH]2)O1 ZINC001130767755 1202786090 /nfs/dbraw/zinc/78/60/90/1202786090.db2.gz QWEQAMWJBLPCNZ-LSDHHAIUSA-N 1 1 359.430 0.948 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cc(C)on3)n[nH]2)O1 ZINC001130772453 1202787610 /nfs/dbraw/zinc/78/76/10/1202787610.db2.gz NMYNWGRKWNNWOP-UONOGXRCSA-N 1 1 358.402 0.403 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@H]3CCC[N@@H+]3C)[n-]2)O1 ZINC001130772703 1202787862 /nfs/dbraw/zinc/78/78/62/1202787862.db2.gz YCSYWQMUDCXRHY-RRFJBIMHSA-N 1 1 362.478 0.901 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccnc3N)n[nH]2)O1 ZINC001130772748 1202788130 /nfs/dbraw/zinc/78/81/30/1202788130.db2.gz ZRHSSNWDYINHPG-WDEREUQCSA-N 1 1 358.406 0.103 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n1 ZINC001130785221 1202788785 /nfs/dbraw/zinc/78/87/85/1202788785.db2.gz GLEFXFISGCWZRR-QLFBSQMISA-N 1 1 361.446 0.845 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n1 ZINC001130785501 1202789403 /nfs/dbraw/zinc/78/94/03/1202789403.db2.gz QYAIYLMVQIJUGC-LSDHHAIUSA-N 1 1 361.446 0.847 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785748 1202789762 /nfs/dbraw/zinc/78/97/62/1202789762.db2.gz ZGYBZFIFATYNFP-JKSUJKDBSA-N 1 1 371.441 0.294 20 30 FCEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130776621 1202790020 /nfs/dbraw/zinc/79/00/20/1202790020.db2.gz IQFMTCZYLRZCCM-LSDHHAIUSA-N 1 1 363.462 0.807 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CCOCC3)n[nH]2)O1 ZINC001130776831 1202790279 /nfs/dbraw/zinc/79/02/79/1202790279.db2.gz NRMSUABBCCBQCH-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3coc(C)n3)n[nH]2)O1 ZINC001130778257 1202792055 /nfs/dbraw/zinc/79/20/55/1202792055.db2.gz NYYPRNJAOWWVFE-GXTWGEPZSA-N 1 1 358.402 0.864 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ncc[nH]3)n[nH]2)O1 ZINC001130781208 1202793308 /nfs/dbraw/zinc/79/33/08/1202793308.db2.gz UCSTVTCCYQBYAE-QWHCGFSZSA-N 1 1 359.434 0.773 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnn3CC)n[nH]2)O1 ZINC001130783420 1202794393 /nfs/dbraw/zinc/79/43/93/1202794393.db2.gz WWSODFFBHZMEDL-WCQYABFASA-N 1 1 360.422 0.342 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn4c(n3)CCC4)n[nH]2)O1 ZINC001130783275 1202794508 /nfs/dbraw/zinc/79/45/08/1202794508.db2.gz USYMQKMVBJZRRD-GXTWGEPZSA-N 1 1 369.429 0.320 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCC(=O)N3C)n[nH]2)O1 ZINC001130796025 1202795960 /nfs/dbraw/zinc/79/59/60/1202795960.db2.gz FYGQIGPETAASRR-RWMBFGLXSA-N 1 1 362.434 0.037 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn[nH]c(=O)c3)n[nH]2)O1 ZINC001130790393 1202799424 /nfs/dbraw/zinc/79/94/24/1202799424.db2.gz XZYIQFDUTZTBRB-QWHCGFSZSA-N 1 1 371.401 0.063 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)n3C)n[nH]2)O1 ZINC001130804282 1202800853 /nfs/dbraw/zinc/80/08/53/1202800853.db2.gz BPECBZIQIHVGOO-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC)NC(C)=O)n[nH]2)O1 ZINC001130806916 1202801529 /nfs/dbraw/zinc/80/15/29/1202801529.db2.gz MRXQHWFIGPFCNX-BFHYXJOUSA-N 1 1 364.450 0.331 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC(C)C)OC)n[nH]2)O1 ZINC001130809398 1202802394 /nfs/dbraw/zinc/80/23/94/1202802394.db2.gz WKWSWCCVSJVJLK-ZNMIVQPWSA-N 1 1 363.462 0.925 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnoc3)n[nH]2)O1 ZINC001130802510 1202803858 /nfs/dbraw/zinc/80/38/58/1202803858.db2.gz XNMQOMKRIFLTFX-UONOGXRCSA-N 1 1 358.402 0.485 20 30 FCEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130823437 1202804331 /nfs/dbraw/zinc/80/43/31/1202804331.db2.gz RJPKOFRRGGNQNH-MELADBBJSA-N 1 1 367.450 0.468 20 30 FCEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130822324 1202804624 /nfs/dbraw/zinc/80/46/24/1202804624.db2.gz HHDANGHOEKBALH-LSDHHAIUSA-N 1 1 361.446 0.847 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]3(C)CCOC3)n[nH]2)O1 ZINC001130813621 1202806074 /nfs/dbraw/zinc/80/60/74/1202806074.db2.gz UPQXYYQKYWFMIW-IYOUNJFTSA-N 1 1 361.446 0.681 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnon3)n[nH]2)O1 ZINC001130813589 1202806099 /nfs/dbraw/zinc/80/60/99/1202806099.db2.gz SKDKYKZBBDRUKH-WCQYABFASA-N 1 1 361.406 0.894 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CCOC)n[nH]2)O1 ZINC001130817184 1202807919 /nfs/dbraw/zinc/80/79/19/1202807919.db2.gz DTJSYWDBVXVTJN-QLFBSQMISA-N 1 1 363.462 0.927 20 30 FCEDMO 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N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3n[nH]nc32)C1 ZINC001111754986 1221091124 /nfs/dbraw/zinc/09/11/24/1221091124.db2.gz BQWVBARCACLZMC-SGTLLEGYSA-N 1 1 367.413 0.182 20 30 FCEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc3n[nH]nc32)C1 ZINC001111754986 1221091129 /nfs/dbraw/zinc/09/11/29/1221091129.db2.gz BQWVBARCACLZMC-SGTLLEGYSA-N 1 1 367.413 0.182 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn3c2CCC3)C1 ZINC001111771638 1221100901 /nfs/dbraw/zinc/10/09/01/1221100901.db2.gz KTZYXZZMJBXRBJ-SIFCLUCFSA-N 1 1 369.469 0.552 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3n(n2)CCC3)C1 ZINC001111771193 1221101244 /nfs/dbraw/zinc/10/12/44/1221101244.db2.gz YECVQPBKYSFKLH-UGSOOPFHSA-N 1 1 356.430 0.053 20 30 FCEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc3n(n2)CCC3)C1 ZINC001111771193 1221101245 /nfs/dbraw/zinc/10/12/45/1221101245.db2.gz YECVQPBKYSFKLH-UGSOOPFHSA-N 1 1 356.430 0.053 20 30 FCEDMO C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCC#N)C2 ZINC001111782529 1221105932 /nfs/dbraw/zinc/10/59/32/1221105932.db2.gz MWIBZNVTQDXDEA-BXWFABGCSA-N 1 1 361.490 0.471 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001111790394 1221110881 /nfs/dbraw/zinc/11/08/81/1221110881.db2.gz XBJXBWKUOWUPCB-GUXCAODWSA-N 1 1 369.469 0.166 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001111790394 1221110883 /nfs/dbraw/zinc/11/08/83/1221110883.db2.gz XBJXBWKUOWUPCB-GUXCAODWSA-N 1 1 369.469 0.166 20 30 FCEDMO CCc1nnc(C)cc1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111791283 1221111486 /nfs/dbraw/zinc/11/14/86/1221111486.db2.gz NXFFVTAENKJCCD-LIRRHRJNSA-N 1 1 370.457 0.572 20 30 FCEDMO CCc1nnc(C)cc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111791283 1221111488 /nfs/dbraw/zinc/11/14/88/1221111488.db2.gz NXFFVTAENKJCCD-LIRRHRJNSA-N 1 1 370.457 0.572 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2ccccc2)C1 ZINC001111799962 1221115766 /nfs/dbraw/zinc/11/57/66/1221115766.db2.gz RKJYDIUPHAFXRK-YWZLYKJASA-N 1 1 368.437 0.345 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2ccccc2)C1 ZINC001111799962 1221115768 /nfs/dbraw/zinc/11/57/68/1221115768.db2.gz RKJYDIUPHAFXRK-YWZLYKJASA-N 1 1 368.437 0.345 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(N)=O)cn2C)C1 ZINC001111800231 1221116506 /nfs/dbraw/zinc/11/65/06/1221116506.db2.gz IHFSZGWIFQEUGG-KXBFYZLASA-N 1 1 360.458 0.911 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001111802996 1221117740 /nfs/dbraw/zinc/11/77/40/1221117740.db2.gz FVVTWJJYPCLKMQ-KNBMTAEXSA-N 1 1 368.437 0.601 20 30 FCEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001111802996 1221117742 /nfs/dbraw/zinc/11/77/42/1221117742.db2.gz FVVTWJJYPCLKMQ-KNBMTAEXSA-N 1 1 368.437 0.601 20 30 FCEDMO COc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)cn1 ZINC001111803249 1221117908 /nfs/dbraw/zinc/11/79/08/1221117908.db2.gz QLYDZCIECCVYRK-KSSFIOAISA-N 1 1 357.414 0.314 20 30 FCEDMO COc1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)cn1 ZINC001111803249 1221117910 /nfs/dbraw/zinc/11/79/10/1221117910.db2.gz QLYDZCIECCVYRK-KSSFIOAISA-N 1 1 357.414 0.314 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001111815943 1221124091 /nfs/dbraw/zinc/12/40/91/1221124091.db2.gz GPLVCXOQRDLYLX-UWVAXJGDSA-N 1 1 371.485 0.769 20 30 FCEDMO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111815237 1221124405 /nfs/dbraw/zinc/12/44/05/1221124405.db2.gz ZYGQKMZYZZOLAA-HRLGVUPISA-N 1 1 370.457 0.134 20 30 FCEDMO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111815237 1221124406 /nfs/dbraw/zinc/12/44/06/1221124406.db2.gz ZYGQKMZYZZOLAA-HRLGVUPISA-N 1 1 370.457 0.134 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001229535353 1226017085 /nfs/dbraw/zinc/01/70/85/1226017085.db2.gz KXWSWUQFCMFXDX-QEJZJMRPSA-N 1 1 366.462 0.522 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccnc(C)n2)C1 ZINC001111816988 1221125526 /nfs/dbraw/zinc/12/55/26/1221125526.db2.gz HYRNHEQRRVUMHW-JXFKEZNVSA-N 1 1 371.485 0.991 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2ccnc(C)n2)C1 ZINC001111819339 1221126417 /nfs/dbraw/zinc/12/64/17/1221126417.db2.gz WNZHUUBTQQONLC-JXFKEZNVSA-N 1 1 369.469 0.438 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)nn(C)c2C)C1 ZINC001111823738 1221127181 /nfs/dbraw/zinc/12/71/81/1221127181.db2.gz IHGUXTJCOVKNTB-KXBFYZLASA-N 1 1 357.458 0.371 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)nn(C)c2C)C1 ZINC001111823738 1221127185 /nfs/dbraw/zinc/12/71/85/1221127185.db2.gz IHGUXTJCOVKNTB-KXBFYZLASA-N 1 1 357.458 0.371 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2nc(C)no2)C1 ZINC001111828715 1221130000 /nfs/dbraw/zinc/13/00/00/1221130000.db2.gz WNOYXSPIPUITIC-KSSFIOAISA-N 1 1 361.446 0.584 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3nnnc3c2)C1 ZINC001111829365 1221130651 /nfs/dbraw/zinc/13/06/51/1221130651.db2.gz FBNSWSGSZCFWKS-KSSFIOAISA-N 1 1 369.429 0.011 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3nnnc3c2)C1 ZINC001111829365 1221130653 /nfs/dbraw/zinc/13/06/53/1221130653.db2.gz FBNSWSGSZCFWKS-KSSFIOAISA-N 1 1 369.429 0.011 20 30 FCEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000782157178 1221133580 /nfs/dbraw/zinc/13/35/80/1221133580.db2.gz MTJRXKDKDGMMLK-UHFFFAOYSA-N 1 1 359.426 0.552 20 30 FCEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000782157178 1221133582 /nfs/dbraw/zinc/13/35/82/1221133582.db2.gz MTJRXKDKDGMMLK-UHFFFAOYSA-N 1 1 359.426 0.552 20 30 FCEDMO CC#CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001111846275 1221134410 /nfs/dbraw/zinc/13/44/10/1221134410.db2.gz ZCIZSLATBNKGEC-KXBFYZLASA-N 1 1 360.458 0.703 20 30 FCEDMO C=CCNC(=O)[C@@H](C)N1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855537 1221137848 /nfs/dbraw/zinc/13/78/48/1221137848.db2.gz AAAZJBDZMHESKI-GUXCAODWSA-N 1 1 362.518 0.990 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001111853370 1221137955 /nfs/dbraw/zinc/13/79/55/1221137955.db2.gz VNIHFMMINHHNFW-FIKGOQFSSA-N 1 1 366.465 0.832 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3cccnc32)C1 ZINC001111853370 1221137956 /nfs/dbraw/zinc/13/79/56/1221137956.db2.gz VNIHFMMINHHNFW-FIKGOQFSSA-N 1 1 366.465 0.832 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2OC)C1 ZINC001111859858 1221139609 /nfs/dbraw/zinc/13/96/09/1221139609.db2.gz FHOFYQMHXLMXDD-AVYPCKFXSA-N 1 1 370.453 0.812 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccnc2OC)C1 ZINC001111859858 1221139613 /nfs/dbraw/zinc/13/96/13/1221139613.db2.gz FHOFYQMHXLMXDD-AVYPCKFXSA-N 1 1 370.453 0.812 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C#C)c2)C1 ZINC001111865146 1221141346 /nfs/dbraw/zinc/14/13/46/1221141346.db2.gz BLJRXLBLRWYAAE-PXNSSMCTSA-N 1 1 350.422 0.397 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cncc(C#C)c2)C1 ZINC001111865146 1221141348 /nfs/dbraw/zinc/14/13/48/1221141348.db2.gz BLJRXLBLRWYAAE-PXNSSMCTSA-N 1 1 350.422 0.397 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccc(C)n2)C1 ZINC001111874206 1221146239 /nfs/dbraw/zinc/14/62/39/1221146239.db2.gz SFUHOXKJUCKMOT-BXWFABGCSA-N 1 1 359.474 0.853 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001111882656 1221150207 /nfs/dbraw/zinc/15/02/07/1221150207.db2.gz XFYAHOFZDCILJR-LIRRHRJNSA-N 1 1 356.426 0.429 20 30 FCEDMO CCCn1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)cn1 ZINC001111884623 1221150292 /nfs/dbraw/zinc/15/02/92/1221150292.db2.gz SSSSFFXVYWAEDX-YJBOKZPZSA-N 1 1 358.446 0.517 20 30 FCEDMO CCCn1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)cn1 ZINC001111884623 1221150293 /nfs/dbraw/zinc/15/02/93/1221150293.db2.gz SSSSFFXVYWAEDX-YJBOKZPZSA-N 1 1 358.446 0.517 20 30 FCEDMO C=CCn1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCOC)C3)nn1 ZINC001111895983 1221154775 /nfs/dbraw/zinc/15/47/75/1221154775.db2.gz UHIKFUZQLKPGNW-YJBOKZPZSA-N 1 1 363.462 0.711 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn(CC=C)nn2)C1 ZINC001111896028 1221154830 /nfs/dbraw/zinc/15/48/30/1221154830.db2.gz WPRSQHBOMWBYRP-VCBZYWHSSA-N 1 1 370.457 0.186 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cn(CC=C)nn2)C1 ZINC001111896028 1221154831 /nfs/dbraw/zinc/15/48/31/1221154831.db2.gz WPRSQHBOMWBYRP-VCBZYWHSSA-N 1 1 370.457 0.186 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cccnn32)C1 ZINC001111894624 1221154939 /nfs/dbraw/zinc/15/49/39/1221154939.db2.gz MHUVNKZVEYCBFM-YWZLYKJASA-N 1 1 365.437 0.668 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3cccnn32)C1 ZINC001111894624 1221154943 /nfs/dbraw/zinc/15/49/43/1221154943.db2.gz MHUVNKZVEYCBFM-YWZLYKJASA-N 1 1 365.437 0.668 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC(=O)N(C)C)C2)C1=O ZINC001111897176 1221155934 /nfs/dbraw/zinc/15/59/34/1221155934.db2.gz YLDCGDMMGBJOJP-KHYOSLBOSA-N 1 1 362.474 0.222 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2cn[nH]c2)C1 ZINC001111900406 1221157971 /nfs/dbraw/zinc/15/79/71/1221157971.db2.gz PZBWNZOLTQHMKT-ALKREAHSSA-N 1 1 357.458 0.451 20 30 FCEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001111903685 1221158837 /nfs/dbraw/zinc/15/88/37/1221158837.db2.gz JRCDHXZBRJRMCM-KXBFYZLASA-N 1 1 360.458 0.864 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cnccc2=O)C1 ZINC001111920082 1221168615 /nfs/dbraw/zinc/16/86/15/1221168615.db2.gz MYUUZQIPNPCCCN-LPHOPBHVSA-N 1 1 358.442 0.254 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCCOC2)C1 ZINC001111920665 1221169807 /nfs/dbraw/zinc/16/98/07/1221169807.db2.gz YMQBRRSOOLWVSK-UWVAXJGDSA-N 1 1 361.486 0.913 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(OC)nn2)C1 ZINC001111925058 1221171438 /nfs/dbraw/zinc/17/14/38/1221171438.db2.gz MOMFYZJWLNDSKD-NJSLBKSFSA-N 1 1 371.441 0.207 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(OC)nn2)C1 ZINC001111925058 1221171442 /nfs/dbraw/zinc/17/14/42/1221171442.db2.gz MOMFYZJWLNDSKD-NJSLBKSFSA-N 1 1 371.441 0.207 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCCCOC)C1 ZINC001111931635 1221176663 /nfs/dbraw/zinc/17/66/63/1221176663.db2.gz QROLPCCOJLBLOH-BXWFABGCSA-N 1 1 367.490 0.701 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001111936383 1221179097 /nfs/dbraw/zinc/17/90/97/1221179097.db2.gz HRZHVVLUPWGAGF-IIMJZQEZSA-N 1 1 369.469 0.235 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001111936383 1221179099 /nfs/dbraw/zinc/17/90/99/1221179099.db2.gz HRZHVVLUPWGAGF-IIMJZQEZSA-N 1 1 369.469 0.235 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001111936671 1221179172 /nfs/dbraw/zinc/17/91/72/1221179172.db2.gz SYPPBINSMAZJBF-UGSOOPFHSA-N 1 1 356.430 0.968 20 30 FCEDMO CNC(=O)c1ccc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC#CCOC)C3)cn1 ZINC001111941540 1221179570 /nfs/dbraw/zinc/17/95/70/1221179570.db2.gz XJDDGBGGPZJYPM-JXFKEZNVSA-N 1 1 370.453 0.675 20 30 FCEDMO CO[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)c1ccccc1 ZINC001111947348 1221181464 /nfs/dbraw/zinc/18/14/64/1221181464.db2.gz DATRKQCCBZZHHJ-HQRMLTQVSA-N 1 1 370.453 0.985 20 30 FCEDMO CO[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)c1ccccc1 ZINC001111947348 1221181467 /nfs/dbraw/zinc/18/14/67/1221181467.db2.gz DATRKQCCBZZHHJ-HQRMLTQVSA-N 1 1 370.453 0.985 20 30 FCEDMO COc1ccccc1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111950948 1221182545 /nfs/dbraw/zinc/18/25/45/1221182545.db2.gz KXNATOZIGFUBPE-LIRRHRJNSA-N 1 1 356.426 0.919 20 30 FCEDMO COc1ccccc1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111950948 1221182549 /nfs/dbraw/zinc/18/25/49/1221182549.db2.gz KXNATOZIGFUBPE-LIRRHRJNSA-N 1 1 356.426 0.919 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2ccc(OC)cc2)C1 ZINC001111952700 1221183086 /nfs/dbraw/zinc/18/30/86/1221183086.db2.gz WDJFCSJQQDXZDB-UWJYYQICSA-N 1 1 369.465 0.958 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001111978061 1221191982 /nfs/dbraw/zinc/19/19/82/1221191982.db2.gz NJWDTYRTUSCWMM-JXFKEZNVSA-N 1 1 368.437 0.119 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001111978061 1221191987 /nfs/dbraw/zinc/19/19/87/1221191987.db2.gz NJWDTYRTUSCWMM-JXFKEZNVSA-N 1 1 368.437 0.119 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001111981000 1221192878 /nfs/dbraw/zinc/19/28/78/1221192878.db2.gz YFYIBGBEWASURG-KSSFIOAISA-N 1 1 360.414 0.542 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(=O)Nc2cc(C)on2)C1 ZINC001111981000 1221192881 /nfs/dbraw/zinc/19/28/81/1221192881.db2.gz YFYIBGBEWASURG-KSSFIOAISA-N 1 1 360.414 0.542 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCNC(=O)c2cnccn2)C1 ZINC001111994459 1221196202 /nfs/dbraw/zinc/19/62/02/1221196202.db2.gz JJHJOBHAROFTBW-KXBFYZLASA-N 1 1 355.442 0.591 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001111996028 1221196294 /nfs/dbraw/zinc/19/62/94/1221196294.db2.gz GYIPDOZJWJHKEJ-ZWOKBUDYSA-N 1 1 371.485 0.769 20 30 FCEDMO C=CCCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](O)COCCOC)C2 ZINC001112016148 1221201014 /nfs/dbraw/zinc/20/10/14/1221201014.db2.gz CFQZDDVGFXYOSQ-LNLFQRSKSA-N 1 1 370.490 0.574 20 30 FCEDMO Cc1cnc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)cn1 ZINC001112037801 1221206637 /nfs/dbraw/zinc/20/66/37/1221206637.db2.gz QUIKUADLQLCLKG-ZYHUDNBSSA-N 1 1 370.335 0.017 20 30 FCEDMO Cc1ccncc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112074742 1221207674 /nfs/dbraw/zinc/20/76/74/1221207674.db2.gz UTLLRWZDUXMDQS-CHWSQXEVSA-N 1 1 369.347 0.622 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C(F)(F)F ZINC001112075798 1221208258 /nfs/dbraw/zinc/20/82/58/1221208258.db2.gz UQSKORNGFHZCNO-RAIGVLPGSA-N 1 1 371.363 0.069 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C(F)(F)F ZINC001112089669 1221208945 /nfs/dbraw/zinc/20/89/45/1221208945.db2.gz SCCMMIBWLPIMNF-FGTRRKKMSA-N 1 1 369.347 0.647 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nccc(C)n2)C[C@H]1C(F)(F)F ZINC001112091703 1221209070 /nfs/dbraw/zinc/20/90/70/1221209070.db2.gz SADRDOZVMQBDJS-VXGBXAGGSA-N 1 1 371.363 0.680 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC)C2)cn1 ZINC001112195357 1221214964 /nfs/dbraw/zinc/21/49/64/1221214964.db2.gz WYGJLGXVZUONIC-LERXQTSPSA-N 1 1 368.359 0.790 20 30 FCEDMO N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnc[nH]1)C2 ZINC001112386766 1221251083 /nfs/dbraw/zinc/25/10/83/1221251083.db2.gz LMPRBBGJYMGNQW-KSSFIOAISA-N 1 1 358.446 0.200 20 30 FCEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000797417546 1221272649 /nfs/dbraw/zinc/27/26/49/1221272649.db2.gz SLEMPSIAYULBLX-RBUKOAKNSA-N 1 1 369.425 0.741 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCOCCN(C)c2ccncc2C#N)O1 ZINC001115267251 1221276997 /nfs/dbraw/zinc/27/69/97/1221276997.db2.gz STWAWUMMOLVZOJ-RHSMWYFYSA-N 1 1 361.446 0.241 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCOCCN(C)c2ccncc2C#N)O1 ZINC001115267251 1221277001 /nfs/dbraw/zinc/27/70/01/1221277001.db2.gz STWAWUMMOLVZOJ-RHSMWYFYSA-N 1 1 361.446 0.241 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnccc1N(C)C ZINC001229724339 1226030406 /nfs/dbraw/zinc/03/04/06/1226030406.db2.gz MZWUGTZQHXXBBV-HZPDHXFCSA-N 1 1 357.458 0.528 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 ZINC000799180902 1221305193 /nfs/dbraw/zinc/30/51/93/1221305193.db2.gz LSFIRIIWWWDAPH-OWCLPIDISA-N 1 1 363.462 0.109 20 30 FCEDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC001117146167 1221480364 /nfs/dbraw/zinc/48/03/64/1221480364.db2.gz CZFUAWGFKIEPRT-UHFFFAOYSA-N 1 1 353.382 0.469 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC001230037998 1226045765 /nfs/dbraw/zinc/04/57/65/1226045765.db2.gz REAICGNCFFKBNN-HUUCEWRRSA-N 1 1 354.414 0.833 20 30 FCEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)C[C@H](C)[N@H+]1CCO ZINC001117785340 1221624116 /nfs/dbraw/zinc/62/41/16/1221624116.db2.gz HCERDOVYAXRYRF-OKILXGFUSA-N 1 1 360.414 0.441 20 30 FCEDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC001117785340 1221624123 /nfs/dbraw/zinc/62/41/23/1221624123.db2.gz HCERDOVYAXRYRF-OKILXGFUSA-N 1 1 360.414 0.441 20 30 FCEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 ZINC001117852711 1221631378 /nfs/dbraw/zinc/63/13/78/1221631378.db2.gz JBOKVHMFUPVPCV-IXDOHACOSA-N 1 1 362.474 0.850 20 30 FCEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC001118148639 1221720082 /nfs/dbraw/zinc/72/00/82/1221720082.db2.gz WTFBPWCFRHJJBQ-OXFYSEKESA-N 1 1 370.453 0.815 20 30 FCEDMO C=CCn1cc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)nn1 ZINC001118177508 1221727131 /nfs/dbraw/zinc/72/71/31/1221727131.db2.gz WCBHJZWBYJVDFQ-HNNXBMFYSA-N 1 1 362.478 0.565 20 30 FCEDMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC001118447942 1221781316 /nfs/dbraw/zinc/78/13/16/1221781316.db2.gz UTGUCDOMSMHYKD-UHFFFAOYSA-N 1 1 372.469 0.522 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001230598244 1226083989 /nfs/dbraw/zinc/08/39/89/1226083989.db2.gz IZUIIEBGIHGKKG-OWCLPIDISA-N 1 1 362.474 0.113 20 30 FCEDMO C=CCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1C1(O)CC1 ZINC001121533995 1222190105 /nfs/dbraw/zinc/19/01/05/1222190105.db2.gz VMXDLOAEMVZAKD-UHFFFAOYSA-N 1 1 374.489 0.580 20 30 FCEDMO C=CCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1C1(O)CC1 ZINC001121533995 1222190108 /nfs/dbraw/zinc/19/01/08/1222190108.db2.gz VMXDLOAEMVZAKD-UHFFFAOYSA-N 1 1 374.489 0.580 20 30 FCEDMO C=CCn1c(N2CC[NH+](CCOCCOC)CC2)nnc1C1(O)CCC1 ZINC001121579455 1222193810 /nfs/dbraw/zinc/19/38/10/1222193810.db2.gz PZYIJAFGQVBOJR-UHFFFAOYSA-N 1 1 365.478 0.621 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001121580512 1222193870 /nfs/dbraw/zinc/19/38/70/1222193870.db2.gz BBVYLMSAWLKBOO-KGLIPLIRSA-N 1 1 373.461 0.704 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001121580512 1222193871 /nfs/dbraw/zinc/19/38/71/1222193871.db2.gz BBVYLMSAWLKBOO-KGLIPLIRSA-N 1 1 373.461 0.704 20 30 FCEDMO C=CCn1c([C@@H](C)CO)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001121581111 1222194199 /nfs/dbraw/zinc/19/41/99/1222194199.db2.gz HKHCZZFOHTUSMY-LSDHHAIUSA-N 1 1 362.478 0.303 20 30 FCEDMO C=CCn1c(-c2cc(CO)on2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001121639964 1222199165 /nfs/dbraw/zinc/19/91/65/1222199165.db2.gz WRBNFWCQUPXRAX-ZDUSSCGKSA-N 1 1 360.418 0.522 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001121658044 1222200741 /nfs/dbraw/zinc/20/07/41/1222200741.db2.gz OMQSQVICLZSKRM-KGLIPLIRSA-N 1 1 374.445 0.541 20 30 FCEDMO C=C(C)Cn1c([C@@H](C)CO)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001122435696 1222273572 /nfs/dbraw/zinc/27/35/72/1222273572.db2.gz LAUTXFDMMDFKPO-HNNXBMFYSA-N 1 1 367.494 0.733 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CNc2nc(C)cc(C#N)n2)CC[N@H+]1C ZINC001124821340 1222386850 /nfs/dbraw/zinc/38/68/50/1222386850.db2.gz HBEQLYMUKYKXTF-HRCADAONSA-N 1 1 360.462 0.618 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C[C@@H](O)CNc2ncc(C#N)cc2F)O1 ZINC001124860122 1222388937 /nfs/dbraw/zinc/38/89/37/1222388937.db2.gz ZAUQZJDSEUEKRY-OSAQELSMSA-N 1 1 365.409 0.043 20 30 FCEDMO 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ZINC001341122372 1268794650 /nfs/dbraw/zinc/79/46/50/1268794650.db2.gz MAYYIDLHGYLHOG-JSGCOSHPSA-N 1 1 362.455 0.362 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCc2sccc2C1 ZINC001341122372 1268794655 /nfs/dbraw/zinc/79/46/55/1268794655.db2.gz MAYYIDLHGYLHOG-JSGCOSHPSA-N 1 1 362.455 0.362 20 30 FCEDMO COCCn1c(-c2ccnc(C#N)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001341448856 1269007071 /nfs/dbraw/zinc/00/70/71/1269007071.db2.gz NMPWDSWFDXLRDU-UHFFFAOYSA-N 1 1 371.445 0.627 20 30 FCEDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nn1CCC#N ZINC001341493588 1269032201 /nfs/dbraw/zinc/03/22/01/1269032201.db2.gz DQRZVFSJPZGJKF-ZIAGYGMSSA-N 1 1 360.418 0.023 20 30 FCEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001560193629 1269195491 /nfs/dbraw/zinc/19/54/91/1269195491.db2.gz HMZFUOKVAPLIOY-GJZGRUSLSA-N 1 1 353.444 0.103 20 30 FCEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001560193630 1269195626 /nfs/dbraw/zinc/19/56/26/1269195626.db2.gz 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CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000646953249 493131809 /nfs/dbraw/zinc/13/18/09/493131809.db2.gz ZCIULQGFHQXOMQ-MAUKXSAKSA-N 1 1 373.453 0.909 20 30 FCEDMO C=CCn1c(COC)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000685541743 493502245 /nfs/dbraw/zinc/50/22/45/493502245.db2.gz NXZROTLCGNROQF-UHFFFAOYSA-N 1 1 364.494 0.991 20 30 FCEDMO C=CCn1c(COC)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000685541743 493502247 /nfs/dbraw/zinc/50/22/47/493502247.db2.gz NXZROTLCGNROQF-UHFFFAOYSA-N 1 1 364.494 0.991 20 30 FCEDMO C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000670234295 493553233 /nfs/dbraw/zinc/55/32/33/493553233.db2.gz HKJOFSLRFCNFEW-ZIAGYGMSSA-N 1 1 370.523 0.995 20 30 FCEDMO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000678752363 493658929 /nfs/dbraw/zinc/65/89/29/493658929.db2.gz SXIVHDQNJRXBJE-MRXNPFEDSA-N 1 1 360.458 0.783 20 30 FCEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nc(N)nc(N)n1 ZINC000264941068 534013816 /nfs/dbraw/zinc/01/38/16/534013816.db2.gz RYZNIYQEROROLV-MRVPVSSYSA-N 1 1 354.415 0.328 20 30 FCEDMO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261772753 526373091 /nfs/dbraw/zinc/37/30/91/526373091.db2.gz GWIUMHRPIDOGJF-ZIAGYGMSSA-N 1 1 364.460 0.376 20 30 FCEDMO C=CCNC(=O)CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000180419698 526552371 /nfs/dbraw/zinc/55/23/71/526552371.db2.gz DSUKAAGGAGXOHH-UHFFFAOYSA-N 1 1 363.437 0.549 20 30 FCEDMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000089266562 526645117 /nfs/dbraw/zinc/64/51/17/526645117.db2.gz DXUZUNYKXQASAJ-ROUUACIJSA-N 1 1 363.506 0.479 20 30 FCEDMO C#CCCS(=O)(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000377367312 526746825 /nfs/dbraw/zinc/74/68/25/526746825.db2.gz XECOVFWERSYMFV-UHFFFAOYSA-N 1 1 355.504 0.606 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413522848 526795453 /nfs/dbraw/zinc/79/54/53/526795453.db2.gz SJIMPWITLSCQQI-RDJZCZTQSA-N 1 1 355.479 0.956 20 30 FCEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000266561232 527108732 /nfs/dbraw/zinc/10/87/32/527108732.db2.gz NDFHBUKARWXRGR-UHFFFAOYSA-N 1 1 365.405 0.861 20 30 FCEDMO C#CCOc1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000108605321 527120357 /nfs/dbraw/zinc/12/03/57/527120357.db2.gz IXCAPQQHNNMDGI-UHFFFAOYSA-N 1 1 358.442 0.391 20 30 FCEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330449574 527591836 /nfs/dbraw/zinc/59/18/36/527591836.db2.gz HXLPRQIIWDXUGB-STQMWFEESA-N 1 1 362.496 0.322 20 30 FCEDMO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330449574 527591840 /nfs/dbraw/zinc/59/18/40/527591840.db2.gz HXLPRQIIWDXUGB-STQMWFEESA-N 1 1 362.496 0.322 20 30 FCEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)NCC#N ZINC000413545829 527767339 /nfs/dbraw/zinc/76/73/39/527767339.db2.gz RHQZAIBPKNFAJP-IAGOWNOFSA-N 1 1 373.457 0.462 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000180688082 528337247 /nfs/dbraw/zinc/33/72/47/528337247.db2.gz SKCJSWFWPRRHGU-ZWKOTPCHSA-N 1 1 363.506 0.085 20 30 FCEDMO CC[N@H+](CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC000410416094 528511659 /nfs/dbraw/zinc/51/16/59/528511659.db2.gz BRILDBCCFJMUTA-NSHDSACASA-N 1 1 358.386 0.319 20 30 FCEDMO CC[N@@H+](CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC000410416094 528511665 /nfs/dbraw/zinc/51/16/65/528511665.db2.gz BRILDBCCFJMUTA-NSHDSACASA-N 1 1 358.386 0.319 20 30 FCEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000180656327 528899560 /nfs/dbraw/zinc/89/95/60/528899560.db2.gz VALHDFGBGYHALW-WMZOPIPTSA-N 1 1 358.490 0.902 20 30 FCEDMO CCOC(=O)CC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000435987630 535641771 /nfs/dbraw/zinc/64/17/71/535641771.db2.gz CYIVFPZTDCCUAE-UHFFFAOYSA-N 1 1 363.418 0.388 20 30 FCEDMO CCOC(=O)CC[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000435987630 535641777 /nfs/dbraw/zinc/64/17/77/535641777.db2.gz CYIVFPZTDCCUAE-UHFFFAOYSA-N 1 1 363.418 0.388 20 30 FCEDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000329260500 546550677 /nfs/dbraw/zinc/55/06/77/546550677.db2.gz DSKOWBARZDQPHJ-CQSZACIVSA-N 1 1 369.491 0.295 20 30 FCEDMO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]C[C@@H]3C[N@H+](C)CCN3C)CCO2)c1 ZINC000329253037 546550924 /nfs/dbraw/zinc/55/09/24/546550924.db2.gz VVHVEKCJFMZJEV-CVEARBPZSA-N 1 1 350.467 0.052 20 30 FCEDMO Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CCO2)c1 ZINC000329253037 546550927 /nfs/dbraw/zinc/55/09/27/546550927.db2.gz VVHVEKCJFMZJEV-CVEARBPZSA-N 1 1 350.467 0.052 20 30 FCEDMO Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CCO2)c1 ZINC000329253037 546550934 /nfs/dbraw/zinc/55/09/34/546550934.db2.gz VVHVEKCJFMZJEV-CVEARBPZSA-N 1 1 350.467 0.052 20 30 FCEDMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329391734 546553455 /nfs/dbraw/zinc/55/34/55/546553455.db2.gz VMNGWBUSJAWGSF-AAEUAGOBSA-N 1 1 373.479 0.161 20 30 FCEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000330243445 546591376 /nfs/dbraw/zinc/59/13/76/546591376.db2.gz WVGGTZZNUATAAK-GFCCVEGCSA-N 1 1 353.496 1.031 20 30 FCEDMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592145019 546612193 /nfs/dbraw/zinc/61/21/93/546612193.db2.gz MEYVNAIUEMOOCE-INIZCTEOSA-N 1 1 353.444 0.666 20 30 FCEDMO N#Cc1ccc(S(=O)(=O)N2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000033906077 546880589 /nfs/dbraw/zinc/88/05/89/546880589.db2.gz JZVVBEJSHCVYQH-UHFFFAOYSA-N 1 1 364.471 0.197 20 30 FCEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000546574277 546888158 /nfs/dbraw/zinc/88/81/58/546888158.db2.gz IQGFCZZATLPCDR-CYBMUJFWSA-N 1 1 374.260 0.666 20 30 FCEDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000546589441 547042184 /nfs/dbraw/zinc/04/21/84/547042184.db2.gz TZGHBSZUIZKBCD-QGZVFWFLSA-N 1 1 362.455 0.814 20 30 FCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NC(=O)NCC(F)(F)F ZINC000153316973 547316045 /nfs/dbraw/zinc/31/60/45/547316045.db2.gz RNNICEVZHQYIML-UHFFFAOYSA-N 1 1 361.328 0.116 20 30 FCEDMO C#CCN1CC[NH+](Cn2c(C)nnc2-c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735382331 598849403 /nfs/dbraw/zinc/84/94/03/598849403.db2.gz YPOOMDYFABLVFZ-UHFFFAOYSA-N 1 1 363.429 0.642 20 30 FCEDMO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 ZINC000949470520 674405056 /nfs/dbraw/zinc/40/50/56/674405056.db2.gz CAPLJHFZRAXPOO-LSDHHAIUSA-N 1 1 351.447 0.289 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCOC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735381709 598682960 /nfs/dbraw/zinc/68/29/60/598682960.db2.gz PSIYLMIAIBHYQC-KRWDZBQOSA-N 1 1 368.441 0.939 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCOC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735381709 598682961 /nfs/dbraw/zinc/68/29/61/598682961.db2.gz PSIYLMIAIBHYQC-KRWDZBQOSA-N 1 1 368.441 0.939 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001022736320 663507017 /nfs/dbraw/zinc/50/70/17/663507017.db2.gz RNXKHCRYMSKRIZ-RQJABVFESA-N 1 1 350.419 0.586 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCN2CCNC2=O)C1 ZINC000972523495 663594012 /nfs/dbraw/zinc/59/40/12/663594012.db2.gz VEOSFLKPKFUMPT-JYJNAYRXSA-N 1 1 350.463 0.526 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000973125516 664070560 /nfs/dbraw/zinc/07/05/60/664070560.db2.gz CUGWXAPXDBOZDI-SUJAAXHWSA-N 1 1 351.447 0.062 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000973125516 664070561 /nfs/dbraw/zinc/07/05/61/664070561.db2.gz CUGWXAPXDBOZDI-SUJAAXHWSA-N 1 1 351.447 0.062 20 30 FCEDMO C[C@H](C#N)OCC[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC000931126371 664242859 /nfs/dbraw/zinc/24/28/59/664242859.db2.gz MRCJASGBIPRWLV-MRXNPFEDSA-N 1 1 366.487 0.511 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001027890855 664472080 /nfs/dbraw/zinc/47/20/80/664472080.db2.gz KWCJBIFEMRXQAN-XHSDSOJGSA-N 1 1 350.463 0.573 20 30 FCEDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907118946 666098630 /nfs/dbraw/zinc/09/86/30/666098630.db2.gz DHUWHVBAJKGERF-CYBMUJFWSA-N 1 1 374.260 0.666 20 30 FCEDMO CC(N=Nc1ncccn1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000912974061 666487980 /nfs/dbraw/zinc/48/79/80/666487980.db2.gz IWNDLVVQOBIULI-UHFFFAOYSA-N 1 1 360.443 0.907 20 30 FCEDMO COc1cc(C(=O)NCC#CC[NH+](C)C)cc(NS(C)(=O)=O)c1OC ZINC000913519129 666531835 /nfs/dbraw/zinc/53/18/35/666531835.db2.gz OTZSEJXNLNVRTL-UHFFFAOYSA-N 1 1 369.443 0.370 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC000992244640 666628081 /nfs/dbraw/zinc/62/80/81/666628081.db2.gz YUDSFAUJMVTJPW-JYYAWHABSA-N 1 1 356.488 0.735 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC000992244640 666628089 /nfs/dbraw/zinc/62/80/89/666628089.db2.gz YUDSFAUJMVTJPW-JYYAWHABSA-N 1 1 356.488 0.735 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000992598613 666691347 /nfs/dbraw/zinc/69/13/47/666691347.db2.gz JSJGZZZFGYWNJV-OWCLPIDISA-N 1 1 351.447 0.015 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000992598613 666691352 /nfs/dbraw/zinc/69/13/52/666691352.db2.gz JSJGZZZFGYWNJV-OWCLPIDISA-N 1 1 351.447 0.015 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CCN2CCCS2(=O)=O)C1 ZINC001032047581 666750058 /nfs/dbraw/zinc/75/00/58/666750058.db2.gz IDNIWHHPVLCTHV-HOTGVXAUSA-N 1 1 371.503 0.051 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001032048292 666750319 /nfs/dbraw/zinc/75/03/19/666750319.db2.gz YNSJPILQMCANFV-XIRDDKMYSA-N 1 1 370.515 0.840 20 30 FCEDMO C=C(Br)CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000732062489 666853476 /nfs/dbraw/zinc/85/34/76/666853476.db2.gz LZAAVBGEPORUHV-ZDUSSCGKSA-N 1 1 374.279 0.725 20 30 FCEDMO COc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)ccc1O ZINC000916310051 666999490 /nfs/dbraw/zinc/99/94/90/666999490.db2.gz MLBYMFMNMDLHJM-UHFFFAOYSA-N 1 1 352.460 0.921 20 30 FCEDMO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999993824 667259641 /nfs/dbraw/zinc/25/96/41/667259641.db2.gz WCJXOSVQGIHXFX-NOLJZWGESA-N 1 1 351.838 0.930 20 30 FCEDMO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC000999993824 667259642 /nfs/dbraw/zinc/25/96/42/667259642.db2.gz WCJXOSVQGIHXFX-NOLJZWGESA-N 1 1 351.838 0.930 20 30 FCEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ncccc1S(=O)(=O)N1CCN(C)CC1 ZINC000752165649 667505693 /nfs/dbraw/zinc/50/56/93/667505693.db2.gz LTDOLSBCYTZQQG-ZDUSSCGKSA-N 1 1 366.491 0.367 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000755576866 667639501 /nfs/dbraw/zinc/63/95/01/667639501.db2.gz RYDDWYYJYRJCKD-LBPRGKRZSA-N 1 1 367.393 0.514 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000755576866 667639505 /nfs/dbraw/zinc/63/95/05/667639505.db2.gz RYDDWYYJYRJCKD-LBPRGKRZSA-N 1 1 367.393 0.514 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](CCSC)NS(=O)(=O)CC ZINC000756556873 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355.442 0.901 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc4n[nH]nc4n3)[C@H]2C)C1=O ZINC001088607844 1192368179 /nfs/dbraw/zinc/36/81/79/1192368179.db2.gz UPGANXWPYJHCIB-XUJVJEKNSA-N 1 1 369.429 0.332 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc4n[nH]nc4n3)[C@H]2C)C1=O ZINC001088607844 1192368181 /nfs/dbraw/zinc/36/81/81/1192368181.db2.gz UPGANXWPYJHCIB-XUJVJEKNSA-N 1 1 369.429 0.332 20 30 FCEDMO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000275822054 1169791752 /nfs/dbraw/zinc/79/17/52/1169791752.db2.gz QCWHLGZZFGFPNV-HNNXBMFYSA-N 1 1 371.441 0.821 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000971270265 1170062447 /nfs/dbraw/zinc/06/24/47/1170062447.db2.gz FYXSHRPWEXZIIW-HYVNUMGLSA-N 1 1 355.442 0.191 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnn(C)c3)[C@@H]2C1 ZINC000971270265 1170062451 /nfs/dbraw/zinc/06/24/51/1170062451.db2.gz FYXSHRPWEXZIIW-HYVNUMGLSA-N 1 1 355.442 0.191 20 30 FCEDMO 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/nfs/dbraw/zinc/53/14/84/1201531484.db2.gz AQPHVPWTXCERSI-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001130195743 1201531487 /nfs/dbraw/zinc/53/14/87/1201531487.db2.gz AQPHVPWTXCERSI-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2C)[nH]1 ZINC001130195890 1201533049 /nfs/dbraw/zinc/53/30/49/1201533049.db2.gz HNIAOUKEKPYSCR-GJZGRUSLSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccoc2)n1 ZINC001130204742 1201539258 /nfs/dbraw/zinc/53/92/58/1201539258.db2.gz INXTUBPIBGHYKF-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccoc2)n[nH]1 ZINC001130204742 1201539259 /nfs/dbraw/zinc/53/92/59/1201539259.db2.gz INXTUBPIBGHYKF-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2)n1 ZINC001130203249 1201539392 /nfs/dbraw/zinc/53/93/92/1201539392.db2.gz VFBSZCDMSFERTJ-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2)n[nH]1 ZINC001130203249 1201539393 /nfs/dbraw/zinc/53/93/93/1201539393.db2.gz VFBSZCDMSFERTJ-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCOCC2)n1 ZINC001130204757 1201539701 /nfs/dbraw/zinc/53/97/01/1201539701.db2.gz JGBQGZLNVKSDQR-GJZGRUSLSA-N 1 1 359.430 0.253 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=CCOCC2)n[nH]1 ZINC001130204757 1201539704 /nfs/dbraw/zinc/53/97/04/1201539704.db2.gz JGBQGZLNVKSDQR-GJZGRUSLSA-N 1 1 359.430 0.253 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc3n2CCC3)n1 ZINC001130216350 1201547130 /nfs/dbraw/zinc/54/71/30/1201547130.db2.gz UKDUAWBKAGTVKP-JSGCOSHPSA-N 1 1 371.445 0.526 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc3n2CCC3)n[nH]1 ZINC001130216350 1201547131 /nfs/dbraw/zinc/54/71/31/1201547131.db2.gz UKDUAWBKAGTVKP-JSGCOSHPSA-N 1 1 371.445 0.526 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC(F)(F)C2)[nH]1 ZINC001130215985 1201547241 /nfs/dbraw/zinc/54/72/41/1201547241.db2.gz LJJJMHWVSVTOJE-AGIUHOORSA-N 1 1 367.400 0.952 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2)n1 ZINC001130202864 1201549700 /nfs/dbraw/zinc/54/97/00/1201549700.db2.gz MNNUWBDZXIQTPH-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2)n[nH]1 ZINC001130202864 1201549706 /nfs/dbraw/zinc/54/97/06/1201549706.db2.gz MNNUWBDZXIQTPH-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccon2)[nH]1 ZINC001130223196 1201552529 /nfs/dbraw/zinc/55/25/29/1201552529.db2.gz QHWUURNTOATWQJ-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@@H](C)O2)[nH]1 ZINC001130240336 1201554457 /nfs/dbraw/zinc/55/44/57/1201554457.db2.gz ONFBDZKUZNVKDI-BARDWOONSA-N 1 1 361.446 0.474 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]nc2C)n1 ZINC001130225042 1201554515 /nfs/dbraw/zinc/55/45/15/1201554515.db2.gz PIUCQUFYFIIVRC-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]nc2C)n[nH]1 ZINC001130225042 1201554519 /nfs/dbraw/zinc/55/45/19/1201554519.db2.gz PIUCQUFYFIIVRC-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C3CC3)n[nH]2)n1 ZINC001130240072 1201555137 /nfs/dbraw/zinc/55/51/37/1201555137.db2.gz HESUGYMWQVYWRM-WFASDCNBSA-N 1 1 371.445 0.983 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C3CC3)n[nH]2)n[nH]1 ZINC001130240072 1201555140 /nfs/dbraw/zinc/55/51/40/1201555140.db2.gz HESUGYMWQVYWRM-WFASDCNBSA-N 1 1 371.445 0.983 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[nH]1 ZINC001130234864 1201558801 /nfs/dbraw/zinc/55/88/01/1201558801.db2.gz MQJGDOURSQDBDO-OTJKEOIZSA-N 1 1 357.458 0.952 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)nc2C)[nH]1 ZINC001130237899 1201560116 /nfs/dbraw/zinc/56/01/16/1201560116.db2.gz IXTMBSQAXUIPOG-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nocc2C)n1 ZINC001130244596 1201563523 /nfs/dbraw/zinc/56/35/23/1201563523.db2.gz LEKXABWJOZUUOP-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nocc2C)n[nH]1 ZINC001130244596 1201563525 /nfs/dbraw/zinc/56/35/25/1201563525.db2.gz LEKXABWJOZUUOP-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2cnccn2)n1 ZINC001130244396 1201564023 /nfs/dbraw/zinc/56/40/23/1201564023.db2.gz IEMBEPDQXJOSMI-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2cnccn2)n[nH]1 ZINC001130244396 1201564026 /nfs/dbraw/zinc/56/40/26/1201564026.db2.gz IEMBEPDQXJOSMI-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CCOC2)n1 ZINC001130244215 1201564139 /nfs/dbraw/zinc/56/41/39/1201564139.db2.gz DKSQVWSBSMCVPO-SUNYJGFJSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)CCOC2)n[nH]1 ZINC001130244215 1201564143 /nfs/dbraw/zinc/56/41/43/1201564143.db2.gz DKSQVWSBSMCVPO-SUNYJGFJSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccnc2)[nH]1 ZINC001130251401 1201569922 /nfs/dbraw/zinc/56/99/22/1201569922.db2.gz RVROQAONNMZBMN-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2ccnc2)n[nH]1 ZINC001130251401 1201569923 /nfs/dbraw/zinc/56/99/23/1201569923.db2.gz RVROQAONNMZBMN-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=CC[C@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccncc1 ZINC000805567604 1201571566 /nfs/dbraw/zinc/57/15/66/1201571566.db2.gz LCTKGFWSQFCAED-HNNXBMFYSA-N 1 1 356.430 0.931 20 30 FCEDMO C=CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccncc1 ZINC000805808079 1201587889 /nfs/dbraw/zinc/58/78/89/1201587889.db2.gz BUMZCFYYQPYOCG-GOSISDBHSA-N 1 1 373.501 0.911 20 30 FCEDMO Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220051432 1224738018 /nfs/dbraw/zinc/73/80/18/1224738018.db2.gz ANPIZDCCRVSEIX-SJORKVTESA-N 1 1 353.426 0.586 20 30 FCEDMO Cn1ccnc1CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001220051432 1224738024 /nfs/dbraw/zinc/73/80/24/1224738024.db2.gz ANPIZDCCRVSEIX-SJORKVTESA-N 1 1 353.426 0.586 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cn(C)cn1 ZINC001130531766 1202710106 /nfs/dbraw/zinc/71/01/06/1202710106.db2.gz FOSYMEGZFMCFAC-CGTJXYLNSA-N 1 1 361.490 0.601 20 30 FCEDMO CCn1ncc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)n1 ZINC001130583895 1202722658 /nfs/dbraw/zinc/72/26/58/1202722658.db2.gz XIKQDCHQPUNGMY-FUHWJXTLSA-N 1 1 369.473 0.775 20 30 FCEDMO Cc1nccc(CCC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001220063096 1224741814 /nfs/dbraw/zinc/74/18/14/1224741814.db2.gz KPICQXVCGIGUOW-MOPGFXCFSA-N 1 1 365.437 0.951 20 30 FCEDMO Cc1nccc(CCC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001220063096 1224741817 /nfs/dbraw/zinc/74/18/17/1224741817.db2.gz KPICQXVCGIGUOW-MOPGFXCFSA-N 1 1 365.437 0.951 20 30 FCEDMO COCC#CCN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001130712674 1202759571 /nfs/dbraw/zinc/75/95/71/1202759571.db2.gz GUEYNYZNJOPTQI-FUHWJXTLSA-N 1 1 371.485 0.050 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130708361 1202763589 /nfs/dbraw/zinc/76/35/89/1202763589.db2.gz LQLGEPHCJSYSKC-ZRGWGRIASA-N 1 1 366.469 0.856 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccn3C)n[nH]2)O1 ZINC001130762188 1202778725 /nfs/dbraw/zinc/77/87/25/1202778725.db2.gz OHZVPPBDACKFSK-DZGCQCFKSA-N 1 1 356.430 0.906 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)nn3C)n[nH]2)O1 ZINC001130759954 1202782271 /nfs/dbraw/zinc/78/22/71/1202782271.db2.gz SLXICFUNCGJYJQ-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[nH]2)O1 ZINC001130775061 1202783008 /nfs/dbraw/zinc/78/30/08/1202783008.db2.gz KGUKKAUHCFCMAB-JKSUJKDBSA-N 1 1 368.441 0.892 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CC)c3)n[nH]2)O1 ZINC001130772490 1202787326 /nfs/dbraw/zinc/78/73/26/1202787326.db2.gz PIPMRVDEDWOVKW-UONOGXRCSA-N 1 1 357.418 0.394 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CC)c3)n[nH]2)O1 ZINC001130772514 1202787789 /nfs/dbraw/zinc/78/77/89/1202787789.db2.gz PVKMYPTVMBEJDR-UONOGXRCSA-N 1 1 359.434 0.947 20 30 FCEDMO CO[C@@H](C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785272 1202788864 /nfs/dbraw/zinc/78/88/64/1202788864.db2.gz IYHVQLZOZPLXTM-AEGPPILISA-N 1 1 361.446 0.679 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCCCO3)n[nH]2)O1 ZINC001130776760 1202790103 /nfs/dbraw/zinc/79/01/03/1202790103.db2.gz KNBCYRDSSBFCCO-QLFBSQMISA-N 1 1 361.446 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DLQQOYJSRXTBHV-AWEZNQCLSA-N 1 1 370.523 0.995 20 30 FCEDMO C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001340340454 1268517081 /nfs/dbraw/zinc/51/70/81/1268517081.db2.gz ZPHSQXPXYXZMDD-IRXDYDNUSA-N 1 1 350.507 0.942 20 30 FCEDMO C=CCn1c(Cc2nnc[nH]2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340366576 1268522630 /nfs/dbraw/zinc/52/26/30/1268522630.db2.gz IYDUJIMDAAIKKO-OKILXGFUSA-N 1 1 360.466 0.718 20 30 FCEDMO C=CCn1c(Cc2nnc[nH]2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340366576 1268522639 /nfs/dbraw/zinc/52/26/39/1268522639.db2.gz IYDUJIMDAAIKKO-OKILXGFUSA-N 1 1 360.466 0.718 20 30 FCEDMO C=CCn1c(-c2cn[nH]n2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001340380100 1268528016 /nfs/dbraw/zinc/52/80/16/1268528016.db2.gz MVFRENIAKLRHAY-CQSZACIVSA-N 1 1 358.450 0.798 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001340906794 1268704552 /nfs/dbraw/zinc/70/45/52/1268704552.db2.gz VBQFOPQPCQFTKZ-QLFBSQMISA-N 1 1 373.519 0.186 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001340906794 1268704555 /nfs/dbraw/zinc/70/45/55/1268704555.db2.gz VBQFOPQPCQFTKZ-QLFBSQMISA-N 1 1 373.519 0.186 20 30 FCEDMO C#CCOCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC001341254276 1268897420 /nfs/dbraw/zinc/89/74/20/1268897420.db2.gz BAHGJBHPNCZLEU-UHFFFAOYSA-N 1 1 353.444 0.423 20 30 FCEDMO C#CCOCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC001341254276 1268897439 /nfs/dbraw/zinc/89/74/39/1268897439.db2.gz BAHGJBHPNCZLEU-UHFFFAOYSA-N 1 1 353.444 0.423 20 30 FCEDMO COCCn1c(-c2ccc(C#N)[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001341392748 1268971120 /nfs/dbraw/zinc/97/11/20/1268971120.db2.gz PLQNODBGZXNNND-UHFFFAOYSA-N 1 1 359.434 0.560 20 30 FCEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001560193628 1269195580 /nfs/dbraw/zinc/19/55/80/1269195580.db2.gz HMZFUOKVAPLIOY-CABCVRRESA-N 1 1 353.444 0.103 20 30 FCEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@H]3C2)c1 ZINC001566053863 1269588657 /nfs/dbraw/zinc/58/86/57/1269588657.db2.gz CKAMBKJZRPHTHB-SJORKVTESA-N 1 1 355.442 0.897 20 30 FCEDMO CCn1c(CCCC#N)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001342846481 1269639660 /nfs/dbraw/zinc/63/96/60/1269639660.db2.gz JAJWHKHJKVAKEC-HNNXBMFYSA-N 1 1 359.478 0.887 20 30 FCEDMO COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001342944573 1269694349 /nfs/dbraw/zinc/69/43/49/1269694349.db2.gz PNZDXAPUOARGHP-BZUAXINKSA-N 1 1 360.462 0.710 20 30 FCEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC#Cc1ccccc1 ZINC001344908194 1270275985 /nfs/dbraw/zinc/27/59/85/1270275985.db2.gz MPFZSUVFSPYELI-UHFFFAOYSA-N 1 1 356.470 0.250 20 30 FCEDMO CC(C)C[NH2+]C1(CO)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001574219126 1271103166 /nfs/dbraw/zinc/10/31/66/1271103166.db2.gz MRNCTZSYGKPWKO-UHFFFAOYSA-N 1 1 357.422 0.105 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C[C@@H]1C ZINC001575004848 1271691110 /nfs/dbraw/zinc/69/11/10/1271691110.db2.gz NTJWTFVGDRNBFU-RDJZCZTQSA-N 1 1 374.489 0.484 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575021529 1271696028 /nfs/dbraw/zinc/69/60/28/1271696028.db2.gz HHPITBMEQJGGCS-KGLIPLIRSA-N 1 1 368.441 0.541 20 30 FCEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)nc2)[C@@H](O)C1 ZINC001575048729 1271700383 /nfs/dbraw/zinc/70/03/83/1271700383.db2.gz GVWNDDVPFWACSX-WBVHZDCISA-N 1 1 356.430 0.998 20 30 FCEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)[C@@H](O)C1 ZINC001575048729 1271700388 /nfs/dbraw/zinc/70/03/88/1271700388.db2.gz GVWNDDVPFWACSX-WBVHZDCISA-N 1 1 356.430 0.998 20 30 FCEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3c[nH]nn3)nc2)[C@@H](O)C1 ZINC001575048729 1271700393 /nfs/dbraw/zinc/70/03/93/1271700393.db2.gz GVWNDDVPFWACSX-WBVHZDCISA-N 1 1 356.430 0.998 20 30 FCEDMO C=CC(C)(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)C(C)(C)C1 ZINC001575064955 1271706771 /nfs/dbraw/zinc/70/67/71/1271706771.db2.gz BXTVHAFGNILGKC-CQSZACIVSA-N 1 1 362.478 0.850 20 30 FCEDMO C=CCC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3c[nH]nn3)C2)CCCC1 ZINC001575086035 1271714712 /nfs/dbraw/zinc/71/47/12/1271714712.db2.gz UIXWNCMJKIMGSE-CQSZACIVSA-N 1 1 360.462 0.748 20 30 FCEDMO C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1Cc1cn[nH]n1)CO2 ZINC001575093720 1271716590 /nfs/dbraw/zinc/71/65/90/1271716590.db2.gz ORLREJZJQFRHBG-RDJZCZTQSA-N 1 1 374.489 0.695 20 30 FCEDMO C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575103532 1271718893 /nfs/dbraw/zinc/71/88/93/1271718893.db2.gz FRNBPXTXZFOASK-CYBMUJFWSA-N 1 1 356.430 0.824 20 30 FCEDMO C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575103532 1271718899 /nfs/dbraw/zinc/71/88/99/1271718899.db2.gz FRNBPXTXZFOASK-CYBMUJFWSA-N 1 1 356.430 0.824 20 30 FCEDMO C=CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](C)OCc2cn[nH]n2)CC1 ZINC001575099837 1271719371 /nfs/dbraw/zinc/71/93/71/1271719371.db2.gz FNRUZKGMPRKLTF-CQSZACIVSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H](C)OCc2c[nH]nn2)CC1 ZINC001575099837 1271719378 /nfs/dbraw/zinc/71/93/78/1271719378.db2.gz FNRUZKGMPRKLTF-CQSZACIVSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](C)OCc2c[nH]nn2)CC1 ZINC001575099837 1271719383 /nfs/dbraw/zinc/71/93/83/1271719383.db2.gz FNRUZKGMPRKLTF-CQSZACIVSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575105011 1271721693 /nfs/dbraw/zinc/72/16/93/1271721693.db2.gz ZMFRDFVNPKAROW-NWDGAFQWSA-N 1 1 357.418 0.265 20 30 FCEDMO C[C@@H](C(=O)NCc1cn[nH]n1)[N@@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221122 1271809567 /nfs/dbraw/zinc/80/95/67/1271809567.db2.gz SFROLFPKJVMLQX-KBPBESRZSA-N 1 1 360.462 0.297 20 30 FCEDMO C[C@@H](C(=O)NCc1cn[nH]n1)[N@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221122 1271809575 /nfs/dbraw/zinc/80/95/75/1271809575.db2.gz SFROLFPKJVMLQX-KBPBESRZSA-N 1 1 360.462 0.297 20 30 FCEDMO 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ZINC001112079272 846356843 /nfs/dbraw/zinc/35/68/43/846356843.db2.gz IXFPJUUQJFHWEP-VXGBXAGGSA-N 1 1 361.368 0.919 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C(F)(F)F ZINC001112079388 846356952 /nfs/dbraw/zinc/35/69/52/846356952.db2.gz LGHBQIARXIPAAN-CHWSQXEVSA-N 1 1 356.348 0.665 20 30 FCEDMO C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C1 ZINC001112079216 846357867 /nfs/dbraw/zinc/35/78/67/846357867.db2.gz IPMVJKFTUGTZMH-VXGBXAGGSA-N 1 1 351.369 0.694 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCO2)C[C@H]1C(F)(F)F ZINC001112082894 846359793 /nfs/dbraw/zinc/35/97/93/846359793.db2.gz TUPMFSRLAITKFE-IJLUTSLNSA-N 1 1 362.352 0.174 20 30 FCEDMO CS[C@H](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112084643 846362399 /nfs/dbraw/zinc/36/23/99/846362399.db2.gz JMMXHILBAFUDLS-GMTAPVOTSA-N 1 1 366.409 0.747 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001112093833 846374608 /nfs/dbraw/zinc/37/46/08/846374608.db2.gz OVKMHTJQBPGCSX-VXGBXAGGSA-N 1 1 354.394 0.813 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)CC2(CS(C)(=O)=O)CC2)C[C@H]1C(F)(F)F ZINC001112101476 846382065 /nfs/dbraw/zinc/38/20/65/846382065.db2.gz OTVWQEIFWBQDRE-VXGBXAGGSA-N 1 1 366.405 0.813 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CCC)OC)C[C@H]1C(F)(F)F ZINC001112143019 846415446 /nfs/dbraw/zinc/41/54/46/846415446.db2.gz FBUJBIZTMCQQGW-UPJWGTAASA-N 1 1 363.380 0.530 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112146954 846418745 /nfs/dbraw/zinc/41/87/45/846418745.db2.gz XLGYPGBGTJCCJY-GHMZBOCLSA-N 1 1 362.352 0.354 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](OC)C(C)C)C[C@H]1C(F)(F)F ZINC001112158006 846424405 /nfs/dbraw/zinc/42/44/05/846424405.db2.gz OMAYYGKXTYPYBN-YRGRVCCFSA-N 1 1 365.396 0.939 20 30 FCEDMO COCC#CCN[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166177 846429197 /nfs/dbraw/zinc/42/91/97/846429197.db2.gz 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358.467 0.846 20 30 FCEDMO N#CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCCCC(N)=O)C2)C1 ZINC001276952275 861701681 /nfs/dbraw/zinc/70/16/81/861701681.db2.gz ZOVHPYLFMHFXSI-SFHVURJKSA-N 1 1 350.463 0.887 20 30 FCEDMO CC[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC001117561081 847080712 /nfs/dbraw/zinc/08/07/12/847080712.db2.gz HIMHMHIFQDHDFN-NSHDSACASA-N 1 1 350.341 0.128 20 30 FCEDMO CC[N@@H+](CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC001117561081 847080721 /nfs/dbraw/zinc/08/07/21/847080721.db2.gz HIMHMHIFQDHDFN-NSHDSACASA-N 1 1 350.341 0.128 20 30 FCEDMO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001117932241 847220018 /nfs/dbraw/zinc/22/00/18/847220018.db2.gz OTVXQEQXEIKHHE-CQSZACIVSA-N 1 1 363.483 0.726 20 30 FCEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC001118184483 847315008 /nfs/dbraw/zinc/31/50/08/847315008.db2.gz FUPVOWMDJFTDEF-GOSISDBHSA-N 1 1 350.463 0.442 20 30 FCEDMO C[NH+]1CCN(C(=O)N2C[C@]3(F)CN(CCCC#N)C(=O)[C@]3(F)C2)CC1 ZINC001277248491 861803706 /nfs/dbraw/zinc/80/37/06/861803706.db2.gz UIMRIPDXYXIGOJ-HZPDHXFCSA-N 1 1 355.389 0.232 20 30 FCEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H](C#N)C1 ZINC001120345786 848168473 /nfs/dbraw/zinc/16/84/73/848168473.db2.gz UCZBDWJIEWDWHA-HNNXBMFYSA-N 1 1 350.463 0.565 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+](CCOC)CC2)nnc1[C@](C)(O)COC ZINC001122525770 848516991 /nfs/dbraw/zinc/51/69/91/848516991.db2.gz ZYHPSFSAPBOPPG-QGZVFWFLSA-N 1 1 353.467 0.477 20 30 FCEDMO C=C(C)Cn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCO[C@@H](C(F)F)C1 ZINC001122591293 848523159 /nfs/dbraw/zinc/52/31/59/848523159.db2.gz HWFOENVTVAFZJQ-CMPLNLGQSA-N 1 1 357.361 0.810 20 30 FCEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001128870468 848780791 /nfs/dbraw/zinc/78/07/91/848780791.db2.gz TUEQCIKGQJCPDS-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001128929155 848787526 /nfs/dbraw/zinc/78/75/26/848787526.db2.gz DPMNMISNNNYUOY-HLLBOEOZSA-N 1 1 351.451 0.373 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129009459 848794640 /nfs/dbraw/zinc/79/46/40/848794640.db2.gz BDMIZOBULYKREL-CFVMTHIKSA-N 1 1 367.475 0.019 20 30 FCEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129009459 848794643 /nfs/dbraw/zinc/79/46/43/848794643.db2.gz BDMIZOBULYKREL-CFVMTHIKSA-N 1 1 367.475 0.019 20 30 FCEDMO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)OCC ZINC001129029846 848797029 /nfs/dbraw/zinc/79/70/29/848797029.db2.gz MFLCISPYJQENOF-PMPSAXMXSA-N 1 1 351.451 0.373 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129266687 848824352 /nfs/dbraw/zinc/82/43/52/848824352.db2.gz OUDIYUCVPIQUGP-CABCVRRESA-N 1 1 351.426 0.962 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CF)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129266687 848824358 /nfs/dbraw/zinc/82/43/58/848824358.db2.gz OUDIYUCVPIQUGP-CABCVRRESA-N 1 1 351.426 0.962 20 30 FCEDMO C=CCCOCC(=O)N[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129476448 848851136 /nfs/dbraw/zinc/85/11/36/848851136.db2.gz ITNPJGCMPVBKHK-XHSDSOJGSA-N 1 1 351.451 0.373 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCOC)n1 ZINC001130187215 848964391 /nfs/dbraw/zinc/96/43/91/848964391.db2.gz WQQRNDOWZHGSFI-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCOC)n[nH]1 ZINC001130187215 848964400 /nfs/dbraw/zinc/96/44/00/848964400.db2.gz WQQRNDOWZHGSFI-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)OCC)n1 ZINC001130187669 848965551 /nfs/dbraw/zinc/96/55/51/848965551.db2.gz COISBQGXSZPHKE-RDBSUJKOSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)OCC)n[nH]1 ZINC001130187669 848965556 /nfs/dbraw/zinc/96/55/56/848965556.db2.gz COISBQGXSZPHKE-RDBSUJKOSA-N 1 1 351.451 0.884 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)SC)[nH]1 ZINC001130187844 848966747 /nfs/dbraw/zinc/96/67/47/848966747.db2.gz MRTXBCHTXLDASZ-AVGNSLFASA-N 1 1 351.476 0.658 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)s2)[nH]1 ZINC001130190725 848967604 /nfs/dbraw/zinc/96/76/04/848967604.db2.gz LTDCFYSXBNQDRQ-RYUDHWBXSA-N 1 1 360.443 0.595 20 30 FCEDMO C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130202549 848973018 /nfs/dbraw/zinc/97/30/18/848973018.db2.gz BTFSLARYBHOSFJ-PQIJYRFGSA-N 1 1 352.826 0.795 20 30 FCEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130202549 848973025 /nfs/dbraw/zinc/97/30/25/848973025.db2.gz BTFSLARYBHOSFJ-PQIJYRFGSA-N 1 1 352.826 0.795 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)SC)[nH]1 ZINC001130200340 848973469 /nfs/dbraw/zinc/97/34/69/848973469.db2.gz ISAQZEGVXUNOMW-AVGNSLFASA-N 1 1 351.476 0.658 20 30 FCEDMO 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491968148 /nfs/dbraw/zinc/96/81/48/491968148.db2.gz OCGGGPQLPWTLDI-IRXDYDNUSA-N 1 1 361.490 0.377 20 30 FCEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000602226176 491969545 /nfs/dbraw/zinc/96/95/45/491969545.db2.gz IHYMIEACMMXINB-QGZVFWFLSA-N 1 1 363.506 0.673 20 30 FCEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602237523 491971180 /nfs/dbraw/zinc/97/11/80/491971180.db2.gz HPMOVLWYKMUWDV-KRWDZBQOSA-N 1 1 363.506 0.815 20 30 FCEDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000602989467 492010567 /nfs/dbraw/zinc/01/05/67/492010567.db2.gz PYHOVWSZHZLOLJ-UHFFFAOYSA-N 1 1 354.414 0.814 20 30 FCEDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc(C#N)cc1CS(N)(=O)=O ZINC000603377197 492029955 /nfs/dbraw/zinc/02/99/55/492029955.db2.gz ZHBJWRLNGZFJLX-CZUORRHYSA-N 1 1 364.471 0.646 20 30 FCEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603412191 492031387 /nfs/dbraw/zinc/03/13/87/492031387.db2.gz PGLFZXLBGLOTKD-QGZVFWFLSA-N 1 1 357.458 0.788 20 30 FCEDMO N#C[C@@]1(F)CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000615528810 492093257 /nfs/dbraw/zinc/09/32/57/492093257.db2.gz JHWHHNFGVPKTSZ-KRWDZBQOSA-N 1 1 361.425 0.636 20 30 FCEDMO CN(C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO1)c1nccn(C)c1=O ZINC000598607273 492108159 /nfs/dbraw/zinc/10/81/59/492108159.db2.gz MWQAXGJOBSMETR-LSDHHAIUSA-N 1 1 363.462 0.218 20 30 FCEDMO CN(C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO1)c1nccn(C)c1=O ZINC000598607273 492108160 /nfs/dbraw/zinc/10/81/60/492108160.db2.gz MWQAXGJOBSMETR-LSDHHAIUSA-N 1 1 363.462 0.218 20 30 FCEDMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1(C)C ZINC000598719522 492115623 /nfs/dbraw/zinc/11/56/23/492115623.db2.gz LSEBSTHRQSJPMJ-UHFFFAOYSA-N 1 1 350.444 0.389 20 30 FCEDMO COC(=O)COCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599191150 492140281 /nfs/dbraw/zinc/14/02/81/492140281.db2.gz LNGIAFNQFGUGPI-UHFFFAOYSA-N 1 1 374.441 0.965 20 30 FCEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609097197 492197168 /nfs/dbraw/zinc/19/71/68/492197168.db2.gz UXBIQEPREKCQCN-GOSISDBHSA-N 1 1 369.469 0.854 20 30 FCEDMO CC[NH+]1CCN(CCCCNC(=O)NC2CCN(CC#N)CC2)CC1 ZINC000609335796 492205580 /nfs/dbraw/zinc/20/55/80/492205580.db2.gz HMLOELGESMOVAX-UHFFFAOYSA-N 1 1 350.511 0.691 20 30 FCEDMO CC(C)C[C@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000609517467 492210975 /nfs/dbraw/zinc/21/09/75/492210975.db2.gz NKBBUTYKOJDANT-HZPDHXFCSA-N 1 1 350.463 0.754 20 30 FCEDMO Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@H]2CO)cn1 ZINC000618322713 492223923 /nfs/dbraw/zinc/22/39/23/492223923.db2.gz YOXQFFALNRKVMN-NSHGMRRFSA-N 1 1 370.453 0.934 20 30 FCEDMO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](CCO)C3)CC2)o1 ZINC000610213783 492237237 /nfs/dbraw/zinc/23/72/37/492237237.db2.gz QTBTWCXEHJMYAA-HNNXBMFYSA-N 1 1 361.446 0.598 20 30 FCEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000610259251 492240213 /nfs/dbraw/zinc/24/02/13/492240213.db2.gz CRDNNZGSBLNODI-BEFAXECRSA-N 1 1 352.394 0.792 20 30 FCEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000610259251 492240214 /nfs/dbraw/zinc/24/02/14/492240214.db2.gz CRDNNZGSBLNODI-BEFAXECRSA-N 1 1 352.394 0.792 20 30 FCEDMO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610571769 492252699 /nfs/dbraw/zinc/25/26/99/492252699.db2.gz MRLGVXOIABUVCR-MRXNPFEDSA-N 1 1 360.458 0.374 20 30 FCEDMO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)o1 ZINC000619440480 492262950 /nfs/dbraw/zinc/26/29/50/492262950.db2.gz YAELUJSJWHUAQQ-LRDDRELGSA-N 1 1 361.446 0.906 20 30 FCEDMO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)o1 ZINC000619440480 492262952 /nfs/dbraw/zinc/26/29/52/492262952.db2.gz YAELUJSJWHUAQQ-LRDDRELGSA-N 1 1 361.446 0.906 20 30 FCEDMO C=C(C)COCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641812023 492307112 /nfs/dbraw/zinc/30/71/12/492307112.db2.gz DYGZOZNFGKSJCY-QGZVFWFLSA-N 1 1 354.495 0.675 20 30 FCEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCC[NH+]2Cc3ccccc3C2)C1=O ZINC000623229729 492530447 /nfs/dbraw/zinc/53/04/47/492530447.db2.gz VPZXRCGVGGUXOU-UHFFFAOYSA-N 1 1 356.382 0.095 20 30 FCEDMO C=CCc1ccc(OC[C@@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)c(OC)c1 ZINC000649487602 492557841 /nfs/dbraw/zinc/55/78/41/492557841.db2.gz HRHGZKCCRGQGHK-MSOLQXFVSA-N 1 1 362.470 0.914 20 30 FCEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000656358256 492611950 /nfs/dbraw/zinc/61/19/50/492611950.db2.gz PZEQQBIOVRCWOQ-XHSDSOJGSA-N 1 1 362.474 0.365 20 30 FCEDMO CC#CC[C@H](CO)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645148246 492873472 /nfs/dbraw/zinc/87/34/72/492873472.db2.gz SCVFKBFDICDRMA-MRXNPFEDSA-N 1 1 360.462 0.062 20 30 FCEDMO C=C(C)Cn1c(COC)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC000666448857 493184809 /nfs/dbraw/zinc/18/48/09/493184809.db2.gz FEXOIECKTPJQNJ-UHFFFAOYSA-N 1 1 353.467 0.784 20 30 FCEDMO C=C[C@](C)(O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000668159933 493322435 /nfs/dbraw/zinc/32/24/35/493322435.db2.gz LWBVQMMKDMSYRS-KRWDZBQOSA-N 1 1 367.471 0.888 20 30 FCEDMO C=C[C@](C)(O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000668159933 493322438 /nfs/dbraw/zinc/32/24/38/493322438.db2.gz LWBVQMMKDMSYRS-KRWDZBQOSA-N 1 1 367.471 0.888 20 30 FCEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1=O ZINC000685030965 493443887 /nfs/dbraw/zinc/44/38/87/493443887.db2.gz PSRISWNNWULDRR-AWEZNQCLSA-N 1 1 368.397 0.451 20 30 FCEDMO C=CCn1c(-c2cc[nH]n2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000669030184 493454825 /nfs/dbraw/zinc/45/48/25/493454825.db2.gz YGTSEQUMARJZIN-OAHLLOKOSA-N 1 1 370.461 0.597 20 30 FCEDMO C=C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC ZINC000662168743 493494354 /nfs/dbraw/zinc/49/43/54/493494354.db2.gz SIEXZAYUNOPUMV-CYBMUJFWSA-N 1 1 361.485 0.781 20 30 FCEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000676279775 493540120 /nfs/dbraw/zinc/54/01/20/493540120.db2.gz PZWMBJFLYKWQQA-BBRMVZONSA-N 1 1 374.441 0.376 20 30 FCEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000676279775 493540124 /nfs/dbraw/zinc/54/01/24/493540124.db2.gz PZWMBJFLYKWQQA-BBRMVZONSA-N 1 1 374.441 0.376 20 30 FCEDMO C[C@@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000264781488 533953724 /nfs/dbraw/zinc/95/37/24/533953724.db2.gz VLYCNKMMWCWVGR-HJPHCXOUSA-N 1 1 363.462 0.932 20 30 FCEDMO C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000409559906 534072906 /nfs/dbraw/zinc/07/29/06/534072906.db2.gz YQOSHNSOBFRNAE-YOEHRIQHSA-N 1 1 364.471 0.492 20 30 FCEDMO C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000409559906 534072914 /nfs/dbraw/zinc/07/29/14/534072914.db2.gz YQOSHNSOBFRNAE-YOEHRIQHSA-N 1 1 364.471 0.492 20 30 FCEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC000425323927 534360493 /nfs/dbraw/zinc/36/04/93/534360493.db2.gz VRHKBJOFQAISHD-ZMSDIMECSA-N 1 1 353.463 0.263 20 30 FCEDMO C[NH+]=C(NCc1cn[nH]c1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000262024366 526381264 /nfs/dbraw/zinc/38/12/64/526381264.db2.gz ZKQBEOPDAVDPEN-OAHLLOKOSA-N 1 1 361.494 0.422 20 30 FCEDMO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[N@H+](C)CC23CCCCC3)C1=O ZINC000266834116 526393792 /nfs/dbraw/zinc/39/37/92/526393792.db2.gz DNJDIPWOAGWBMZ-UHFFFAOYSA-N 1 1 362.430 0.440 20 30 FCEDMO CC(C)(C)[C@@H](C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000330926016 526607501 /nfs/dbraw/zinc/60/75/01/526607501.db2.gz HVWIWMSCDLDYME-HUUCEWRRSA-N 1 1 350.463 0.754 20 30 FCEDMO C=C(C)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000126778771 526610722 /nfs/dbraw/zinc/61/07/22/526610722.db2.gz SVDIBVSOPXMZDB-UHFFFAOYSA-N 1 1 360.458 0.944 20 30 FCEDMO CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000089266561 526645509 /nfs/dbraw/zinc/64/55/09/526645509.db2.gz DXUZUNYKXQASAJ-ZWKOTPCHSA-N 1 1 363.506 0.479 20 30 FCEDMO C#CC[N@@H+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000266908037 526895193 /nfs/dbraw/zinc/89/51/93/526895193.db2.gz ICEXXRSEXDBSEU-UHFFFAOYSA-N 1 1 374.466 0.346 20 30 FCEDMO C#CC[N@H+](CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000266908037 526895198 /nfs/dbraw/zinc/89/51/98/526895198.db2.gz ICEXXRSEXDBSEU-UHFFFAOYSA-N 1 1 374.466 0.346 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(Br)cn2)CC1 ZINC000265077867 527000615 /nfs/dbraw/zinc/00/06/15/527000615.db2.gz ZACOSJBUNVWBPB-UHFFFAOYSA-N 1 1 352.236 0.501 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(Br)cn2)CC1 ZINC000265077867 527000620 /nfs/dbraw/zinc/00/06/20/527000620.db2.gz ZACOSJBUNVWBPB-UHFFFAOYSA-N 1 1 352.236 0.501 20 30 FCEDMO C#CCNC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000151632559 527034612 /nfs/dbraw/zinc/03/46/12/527034612.db2.gz WHKHJNHAGMUJEA-MRXNPFEDSA-N 1 1 355.442 0.187 20 30 FCEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](CCOC)[C@@H](C)C(N)=O)c(OC)c1 ZINC000264412789 527256697 /nfs/dbraw/zinc/25/66/97/527256697.db2.gz RLFUJIHJNUOIJF-GOEBONIOSA-N 1 1 366.458 0.986 20 30 FCEDMO C=CCc1ccc(OC[C@H](O)C[N@H+](CCOC)[C@@H](C)C(N)=O)c(OC)c1 ZINC000264412789 527256702 /nfs/dbraw/zinc/25/67/02/527256702.db2.gz RLFUJIHJNUOIJF-GOEBONIOSA-N 1 1 366.458 0.986 20 30 FCEDMO C#Cc1cccc(NC(=O)CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000157157613 527452748 /nfs/dbraw/zinc/45/27/48/527452748.db2.gz WBABOANHTMVMBV-HNNXBMFYSA-N 1 1 358.442 0.874 20 30 FCEDMO CC1CCC([NH+]2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 ZINC000410116641 528194384 /nfs/dbraw/zinc/19/43/84/528194384.db2.gz PRVIJLOJBWABBU-GPANFISMSA-N 1 1 356.492 0.652 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000246128941 528336747 /nfs/dbraw/zinc/33/67/47/528336747.db2.gz REMATNDVDUGUFQ-IAGOWNOFSA-N 1 1 359.478 0.607 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000246128941 528336754 /nfs/dbraw/zinc/33/67/54/528336754.db2.gz REMATNDVDUGUFQ-IAGOWNOFSA-N 1 1 359.478 0.607 20 30 FCEDMO CCN(CCC#N)S(=O)(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000409592828 528378842 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PSAUQSGQKFODRN-KZNAEPCWSA-N 1 1 370.453 0.239 20 30 FCEDMO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001025318693 1182218105 /nfs/dbraw/zinc/21/81/05/1182218105.db2.gz BUTZOFCKMNBGNA-HZPDHXFCSA-N 1 1 369.425 0.781 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000973410790 1182284303 /nfs/dbraw/zinc/28/43/03/1182284303.db2.gz OUFOWRKMLJQCIJ-IETPZCKNSA-N 1 1 355.442 0.374 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000973410790 1182284311 /nfs/dbraw/zinc/28/43/11/1182284311.db2.gz OUFOWRKMLJQCIJ-IETPZCKNSA-N 1 1 355.442 0.374 20 30 FCEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2O)C1 ZINC001025545351 1182464909 /nfs/dbraw/zinc/46/49/09/1182464909.db2.gz CAWWGXJGXWUSTG-HUUCEWRRSA-N 1 1 362.430 0.394 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001025643228 1182583686 /nfs/dbraw/zinc/58/36/86/1182583686.db2.gz 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NEPBETADSBRHGD-MHORFTMASA-N 1 1 359.470 0.570 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nn1C ZINC000976370607 1185925637 /nfs/dbraw/zinc/92/56/37/1185925637.db2.gz AEDHXMIELDLNJU-ZACQAIPSSA-N 1 1 371.485 0.983 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nn1C ZINC000976370607 1185925642 /nfs/dbraw/zinc/92/56/42/1185925642.db2.gz AEDHXMIELDLNJU-ZACQAIPSSA-N 1 1 371.485 0.983 20 30 FCEDMO NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC000978743660 1186003165 /nfs/dbraw/zinc/00/31/65/1186003165.db2.gz LOZPTTLKJJKQBZ-ILOCAZANSA-N 1 1 355.413 0.593 20 30 FCEDMO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC000978831706 1186012498 /nfs/dbraw/zinc/01/24/98/1186012498.db2.gz LNQCGRCFSYWHIX-APIJFGDWSA-N 1 1 360.462 0.429 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)O1 ZINC000978978802 1186041519 /nfs/dbraw/zinc/04/15/19/1186041519.db2.gz 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/nfs/dbraw/zinc/15/68/05/1186156805.db2.gz DPNWWLBFEYCVBT-ZNEHSRBWSA-N 1 1 359.430 0.230 20 30 FCEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001087429758 1186215659 /nfs/dbraw/zinc/21/56/59/1186215659.db2.gz BNDLBDDQSAXGCA-OWCLPIDISA-N 1 1 356.426 0.745 20 30 FCEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001087430080 1186219440 /nfs/dbraw/zinc/21/94/40/1186219440.db2.gz VEBHJPRLQJTYCT-IXDOHACOSA-N 1 1 368.437 0.582 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000981058372 1186311237 /nfs/dbraw/zinc/31/12/37/1186311237.db2.gz QAURBZMEHQMXFK-JZXOWHBKSA-N 1 1 371.485 0.841 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cn(C)nc2C)C1 ZINC000981058372 1186311241 /nfs/dbraw/zinc/31/12/41/1186311241.db2.gz QAURBZMEHQMXFK-JZXOWHBKSA-N 1 1 371.485 0.841 20 30 FCEDMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981173714 1186340742 /nfs/dbraw/zinc/34/07/42/1186340742.db2.gz OTTZRAIYOSVXPV-WOSRLPQWSA-N 1 1 359.430 0.232 20 30 FCEDMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC000981173714 1186340747 /nfs/dbraw/zinc/34/07/47/1186340747.db2.gz OTTZRAIYOSVXPV-WOSRLPQWSA-N 1 1 359.430 0.232 20 30 FCEDMO C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000981368981 1186401912 /nfs/dbraw/zinc/40/19/12/1186401912.db2.gz UKSZKZLOLXYPBF-SOUVJXGZSA-N 1 1 360.462 0.431 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000981625099 1186467305 /nfs/dbraw/zinc/46/73/05/1186467305.db2.gz HBYJIHIGRAILDS-UXLLHSPISA-N 1 1 357.458 0.451 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000981625099 1186467310 /nfs/dbraw/zinc/46/73/10/1186467310.db2.gz HBYJIHIGRAILDS-UXLLHSPISA-N 1 1 357.458 0.451 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC000981624929 1186467562 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C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)nn3)[C@H]2C)C1=O ZINC001088960490 1196848603 /nfs/dbraw/zinc/84/86/03/1196848603.db2.gz LSBJFYOHDXCHHK-IPYPFGDCSA-N 1 1 359.430 0.465 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3conc3COC)[C@H]2C)C1=O ZINC001088974169 1196852865 /nfs/dbraw/zinc/85/28/65/1196852865.db2.gz CZAZBNATIAYIQX-INWMFGNUSA-N 1 1 362.430 0.801 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3conc3COC)[C@H]2C)C1=O ZINC001088974169 1196852866 /nfs/dbraw/zinc/85/28/66/1196852866.db2.gz CZAZBNATIAYIQX-INWMFGNUSA-N 1 1 362.430 0.801 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212193702 1196861013 /nfs/dbraw/zinc/86/10/13/1196861013.db2.gz JHRKKDDZCMNNGA-HBUWYVDXSA-N 1 1 370.494 0.227 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212193702 1196861014 /nfs/dbraw/zinc/86/10/14/1196861014.db2.gz JHRKKDDZCMNNGA-HBUWYVDXSA-N 1 1 370.494 0.227 20 30 FCEDMO 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/nfs/dbraw/zinc/46/39/88/1224463988.db2.gz PNRUMOJJXCMIFG-CABCVRRESA-N 1 1 370.494 0.228 20 30 FCEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273403599 1198210636 /nfs/dbraw/zinc/21/06/36/1198210636.db2.gz LPWIYMCLMFYLQM-KXBFYZLASA-N 1 1 362.474 0.993 20 30 FCEDMO C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1=O ZINC001086392369 1198345261 /nfs/dbraw/zinc/34/52/61/1198345261.db2.gz KNVMRQYLUKDTFH-OXGONZEZSA-N 1 1 357.458 0.785 20 30 FCEDMO Cc1nc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1C#N ZINC001066525791 1198368638 /nfs/dbraw/zinc/36/86/38/1198368638.db2.gz BQAXPVLVSUEZJT-HYVNUMGLSA-N 1 1 357.458 0.923 20 30 FCEDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000766334204 1198403484 /nfs/dbraw/zinc/40/34/84/1198403484.db2.gz QODNYCVFBPSENE-QGZVFWFLSA-N 1 1 356.426 0.702 20 30 FCEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1O ZINC001219482122 1224483491 /nfs/dbraw/zinc/48/34/91/1224483491.db2.gz 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CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001086623025 1201337280 /nfs/dbraw/zinc/33/72/80/1201337280.db2.gz GUBCBCDCYQGISI-DLBZAZTESA-N 1 1 368.437 0.488 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001129795717 1201390719 /nfs/dbraw/zinc/39/07/19/1201390719.db2.gz NDAHVSSKKWSCRM-SOLBZPMBSA-N 1 1 371.445 0.245 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129850228 1201404917 /nfs/dbraw/zinc/40/49/17/1201404917.db2.gz TZFJGVQROAOFNL-CVEARBPZSA-N 1 1 355.446 0.878 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001129837695 1201410676 /nfs/dbraw/zinc/41/06/76/1201410676.db2.gz JTRYZAFEUVJBMK-CVEARBPZSA-N 1 1 358.402 0.156 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001129977695 1201460167 /nfs/dbraw/zinc/46/01/67/1201460167.db2.gz BRXNKXKSGKSSDO-IMJJTQAJSA-N 1 1 358.450 0.551 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130151480 1201517428 /nfs/dbraw/zinc/51/74/28/1201517428.db2.gz SQJITTMJLLGCRB-IMJJTQAJSA-N 1 1 360.418 0.707 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC2)n1 ZINC001130175282 1201520872 /nfs/dbraw/zinc/52/08/72/1201520872.db2.gz HFEUKJHIVXUTLK-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCC2)n[nH]1 ZINC001130175282 1201520876 /nfs/dbraw/zinc/52/08/76/1201520876.db2.gz HFEUKJHIVXUTLK-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC2)[nH]1 ZINC001130175274 1201521323 /nfs/dbraw/zinc/52/13/23/1201521323.db2.gz GZXBKFGRXIWVIY-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2)n1 ZINC001130181653 1201525113 /nfs/dbraw/zinc/52/51/13/1201525113.db2.gz OFCRAOPQXBCBPA-GJZGRUSLSA-N 1 1 354.414 0.615 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2)n[nH]1 ZINC001130181653 1201525117 /nfs/dbraw/zinc/52/51/17/1201525117.db2.gz OFCRAOPQXBCBPA-GJZGRUSLSA-N 1 1 354.414 0.615 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)n[nH]2)n1 ZINC001130187220 1201528463 /nfs/dbraw/zinc/52/84/63/1201528463.db2.gz WXFCLZNASLIELZ-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)n[nH]2)n[nH]1 ZINC001130187220 1201528468 /nfs/dbraw/zinc/52/84/68/1201528468.db2.gz WXFCLZNASLIELZ-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)OCC)[nH]1 ZINC001130190538 1201529158 /nfs/dbraw/zinc/52/91/58/1201529158.db2.gz DXSIJQMTNJDCPY-ZNMIVQPWSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)[nH]2)n1 ZINC001130193000 1201529881 /nfs/dbraw/zinc/52/98/81/1201529881.db2.gz DRRNNVMDAJQSCS-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)[nH]2)n[nH]1 ZINC001130193000 1201529885 /nfs/dbraw/zinc/52/98/85/1201529885.db2.gz DRRNNVMDAJQSCS-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCOC2)n1 ZINC001130190814 1201530218 /nfs/dbraw/zinc/53/02/18/1201530218.db2.gz OSPGHMSMFOXOTI-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCOC2)n[nH]1 ZINC001130190814 1201530222 /nfs/dbraw/zinc/53/02/22/1201530222.db2.gz OSPGHMSMFOXOTI-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCCOC)[nH]1 ZINC001130192978 1201530343 /nfs/dbraw/zinc/53/03/43/1201530343.db2.gz CYXLRMYCDJHZHX-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCCCC)[nH]1 ZINC001130192998 1201530713 /nfs/dbraw/zinc/53/07/13/1201530713.db2.gz DNLUFSKTRXDEKK-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCOC2)[nH]1 ZINC001130193221 1201531376 /nfs/dbraw/zinc/53/13/76/1201531376.db2.gz NEWLNSNWXLXOKI-ILXRZTDVSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[nH]1 ZINC001130198247 1201533475 /nfs/dbraw/zinc/53/34/75/1201533475.db2.gz BLMMQIGFDHKAGX-CEEVZKBLSA-N 1 1 357.458 0.952 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H]2CCOC2)n1 ZINC001130198321 1201534187 /nfs/dbraw/zinc/53/41/87/1201534187.db2.gz GFLQTRMLZYHWEJ-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H]2CCOC2)n[nH]1 ZINC001130198321 1201534195 /nfs/dbraw/zinc/53/41/95/1201534195.db2.gz GFLQTRMLZYHWEJ-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CCOC2)n1 ZINC001130198639 1201535434 /nfs/dbraw/zinc/53/54/34/1201535434.db2.gz SFYTZMBVXIEOMV-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CCOC2)n[nH]1 ZINC001130198639 1201535438 /nfs/dbraw/zinc/53/54/38/1201535438.db2.gz SFYTZMBVXIEOMV-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)C)[nH]1 ZINC001130183025 1201536064 /nfs/dbraw/zinc/53/60/64/1201536064.db2.gz MAESFUIDSJOQMM-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)n[nH]2)[nH]1 ZINC001130185088 1201538134 /nfs/dbraw/zinc/53/81/34/1201538134.db2.gz WMUKVWAWSBWROO-JSGCOSHPSA-N 1 1 357.418 0.116 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n[nH]1 ZINC001130203067 1201539645 /nfs/dbraw/zinc/53/96/45/1201539645.db2.gz RLMTUWKEXPGJDY-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@H](C)COC)n1 ZINC001130203067 1201539649 /nfs/dbraw/zinc/53/96/49/1201539649.db2.gz RLMTUWKEXPGJDY-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@](C)(O)C2CC2)n1 ZINC001130203317 1201540096 /nfs/dbraw/zinc/54/00/96/1201540096.db2.gz YHFUCBIEBAHESD-SUNYJGFJSA-N 1 1 363.462 0.620 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@](C)(O)C2CC2)n[nH]1 ZINC001130203317 1201540099 /nfs/dbraw/zinc/54/00/99/1201540099.db2.gz YHFUCBIEBAHESD-SUNYJGFJSA-N 1 1 363.462 0.620 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)n2)[nH]1 ZINC001130204943 1201540445 /nfs/dbraw/zinc/54/04/45/1201540445.db2.gz NVLMJJVRFGKAKB-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130207726 1201541540 /nfs/dbraw/zinc/54/15/40/1201541540.db2.gz NHOBHMZDBFOZSZ-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130207726 1201541542 /nfs/dbraw/zinc/54/15/42/1201541542.db2.gz NHOBHMZDBFOZSZ-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)nn2)n1 ZINC001130207585 1201542023 /nfs/dbraw/zinc/54/20/23/1201542023.db2.gz HZCDOMSIXAQJBR-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)nn2)n[nH]1 ZINC001130207585 1201542030 /nfs/dbraw/zinc/54/20/30/1201542030.db2.gz HZCDOMSIXAQJBR-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC(F)F)[nH]1 ZINC001130209851 1201544119 /nfs/dbraw/zinc/54/41/19/1201544119.db2.gz NYRJVSHWDFDPFA-RYUDHWBXSA-N 1 1 371.388 0.188 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)ncn2C)n1 ZINC001130216269 1201546584 /nfs/dbraw/zinc/54/65/84/1201546584.db2.gz QRJBOORERJVDFW-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)ncn2C)n[nH]1 ZINC001130216269 1201546589 /nfs/dbraw/zinc/54/65/89/1201546589.db2.gz QRJBOORERJVDFW-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200198 1201547660 /nfs/dbraw/zinc/54/76/60/1201547660.db2.gz CYIJTIXFADNOEE-JSGCOSHPSA-N 1 1 355.402 0.583 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200198 1201547664 /nfs/dbraw/zinc/54/76/64/1201547664.db2.gz CYIJTIXFADNOEE-JSGCOSHPSA-N 1 1 355.402 0.583 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccc2)[nH]1 ZINC001130200800 1201548428 /nfs/dbraw/zinc/54/84/28/1201548428.db2.gz WZCQIDRQVCLFEZ-PMPSAXMXSA-N 1 1 370.457 0.969 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200821 1201548458 /nfs/dbraw/zinc/54/84/58/1201548458.db2.gz XSFCRCVIBCSWLW-ZFWWWQNUSA-N 1 1 367.413 0.420 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200821 1201548462 /nfs/dbraw/zinc/54/84/62/1201548462.db2.gz XSFCRCVIBCSWLW-ZFWWWQNUSA-N 1 1 367.413 0.420 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2CC=C)[nH]1 ZINC001130220744 1201550744 /nfs/dbraw/zinc/55/07/44/1201550744.db2.gz KIVZHLCPVUGGIT-HOCLYGCPSA-N 1 1 368.441 0.818 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccn2CC=C)n[nH]1 ZINC001130220744 1201550746 /nfs/dbraw/zinc/55/07/46/1201550746.db2.gz KIVZHLCPVUGGIT-HOCLYGCPSA-N 1 1 368.441 0.818 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(COC)CCC2)[nH]1 ZINC001130225068 1201553979 /nfs/dbraw/zinc/55/39/79/1201553979.db2.gz QWIHRSKJFLASJZ-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C3CC3)on2)[nH]1 ZINC001130224883 1201554596 /nfs/dbraw/zinc/55/45/96/1201554596.db2.gz HHXCPASRESKRRS-WFASDCNBSA-N 1 1 370.413 0.695 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)cnn2C)n1 ZINC001130227906 1201555155 /nfs/dbraw/zinc/55/51/55/1201555155.db2.gz UTHBCAPPRPLJRW-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)cnn2C)n[nH]1 ZINC001130227906 1201555158 /nfs/dbraw/zinc/55/51/58/1201555158.db2.gz UTHBCAPPRPLJRW-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[nH]1 ZINC001130229974 1201555972 /nfs/dbraw/zinc/55/59/72/1201555972.db2.gz KXRMEUYIRHNTQB-KBPBESRZSA-N 1 1 367.425 0.283 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CCC)OCC)[nH]1 ZINC001130230311 1201557503 /nfs/dbraw/zinc/55/75/03/1201557503.db2.gz RJGPDWMWGRSDHI-ZNMIVQPWSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnc2C)n1 ZINC001130232538 1201557665 /nfs/dbraw/zinc/55/76/65/1201557665.db2.gz KCLJYHRHNISJGO-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2C)n[nH]1 ZINC001130232538 1201557667 /nfs/dbraw/zinc/55/76/67/1201557667.db2.gz KCLJYHRHNISJGO-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCO)n[nH]2)C1 ZINC001130234609 1201558015 /nfs/dbraw/zinc/55/80/15/1201558015.db2.gz DLLVBQMCGRNTTJ-KBPBESRZSA-N 1 1 363.462 0.622 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCO)n2)C1 ZINC001130234609 1201558022 /nfs/dbraw/zinc/55/80/22/1201558022.db2.gz DLLVBQMCGRNTTJ-KBPBESRZSA-N 1 1 363.462 0.622 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2conc2C)n1 ZINC001130232605 1201558213 /nfs/dbraw/zinc/55/82/13/1201558213.db2.gz KRCDBAKDNBPVPD-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2conc2C)n[nH]1 ZINC001130232605 1201558216 /nfs/dbraw/zinc/55/82/16/1201558216.db2.gz KRCDBAKDNBPVPD-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(F)CCOC2)n1 ZINC001130235131 1201558895 /nfs/dbraw/zinc/55/88/95/1201558895.db2.gz UVABQFSKYSZFQY-DCGLDWPTSA-N 1 1 367.425 0.588 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(F)CCOC2)n[nH]1 ZINC001130235131 1201558899 /nfs/dbraw/zinc/55/88/99/1201558899.db2.gz UVABQFSKYSZFQY-DCGLDWPTSA-N 1 1 367.425 0.588 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130237852 1201560193 /nfs/dbraw/zinc/56/01/93/1201560193.db2.gz GOZGKZAZIKLJMM-FZKCQIBNSA-N 1 1 373.457 0.497 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]1 ZINC001130240294 1201561476 /nfs/dbraw/zinc/56/14/76/1201561476.db2.gz MHILWPBZRVQOMM-SEBNEYGDSA-N 1 1 359.430 0.084 20 30 FCEDMO C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n[nH]1 ZINC001130240721 1201561643 /nfs/dbraw/zinc/56/16/43/1201561643.db2.gz ZEAOREPOYLPYPU-RDBSUJKOSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CCC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n1 ZINC001130240721 1201561645 /nfs/dbraw/zinc/56/16/45/1201561645.db2.gz ZEAOREPOYLPYPU-RDBSUJKOSA-N 1 1 365.478 0.866 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nocc2C)[nH]1 ZINC001130244872 1201564716 /nfs/dbraw/zinc/56/47/16/1201564716.db2.gz OMVXMLYGCRUSPB-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCC)n[nH]2)cn1 ZINC001130246423 1201566673 /nfs/dbraw/zinc/56/66/73/1201566673.db2.gz LDEDHSDUWNEWKU-HOTGVXAUSA-N 1 1 368.441 0.983 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCC)n2)cn1 ZINC001130246423 1201566677 /nfs/dbraw/zinc/56/66/77/1201566677.db2.gz LDEDHSDUWNEWKU-HOTGVXAUSA-N 1 1 368.441 0.983 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccn2)[nH]1 ZINC001130246785 1201567091 /nfs/dbraw/zinc/56/70/91/1201567091.db2.gz PIVDDGNGHSYBFT-STQMWFEESA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)CCOC)n1 ZINC001130251305 1201570227 /nfs/dbraw/zinc/57/02/27/1201570227.db2.gz MNMODTZOXUOROQ-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)CCOC)n[nH]1 ZINC001130251305 1201570232 /nfs/dbraw/zinc/57/02/32/1201570232.db2.gz MNMODTZOXUOROQ-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COc2ccccc2)[nH]1 ZINC001130251526 1201570549 /nfs/dbraw/zinc/57/05/49/1201570549.db2.gz ZDONMYGVUKIGAI-HOTGVXAUSA-N 1 1 369.425 0.595 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCC=C)n1 ZINC001130253669 1201571046 /nfs/dbraw/zinc/57/10/46/1201571046.db2.gz JHKZOPKEJUHKKJ-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCC=C)n[nH]1 ZINC001130253669 1201571047 /nfs/dbraw/zinc/57/10/47/1201571047.db2.gz JHKZOPKEJUHKKJ-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C#CCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130285124 1201576448 /nfs/dbraw/zinc/57/64/48/1201576448.db2.gz AWCKXPSWTALEGM-BEFAXECRSA-N 1 1 362.474 0.141 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)nc(CC)nc2C)[C@@H](O)C1 ZINC001220034644 1224733963 /nfs/dbraw/zinc/73/39/63/1224733963.db2.gz YMFPCXPHPMFINS-SJORKVTESA-N 1 1 362.474 0.562 20 30 FCEDMO C=CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001130534716 1202710654 /nfs/dbraw/zinc/71/06/54/1202710654.db2.gz BPQIXEOYIRRSCY-KCQAQPDRSA-N 1 1 358.450 0.555 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130592930 1202726466 /nfs/dbraw/zinc/72/64/66/1202726466.db2.gz LRYOZWHFHDHJKU-UKPHBRMFSA-N 1 1 357.414 0.531 20 30 FCEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2ncnn2C)c1 ZINC001130592752 1202726542 /nfs/dbraw/zinc/72/65/42/1202726542.db2.gz DAMDJAUSNWMXDI-GOEBONIOSA-N 1 1 369.473 0.682 20 30 FCEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130602518 1202732037 /nfs/dbraw/zinc/73/20/37/1202732037.db2.gz FYTJVAHOCXHREM-DOTOQJQBSA-N 1 1 357.462 0.989 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C2)cc1 ZINC001220066482 1224743355 /nfs/dbraw/zinc/74/33/55/1224743355.db2.gz ISVQNGNWUYPUBW-CABCVRRESA-N 1 1 369.368 0.532 20 30 FCEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)COCC(F)F)[C@@H](O)C2)cc1 ZINC001220066482 1224743358 /nfs/dbraw/zinc/74/33/58/1224743358.db2.gz ISVQNGNWUYPUBW-CABCVRRESA-N 1 1 369.368 0.532 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130708332 1202763354 /nfs/dbraw/zinc/76/33/54/1202763354.db2.gz JQRAUANSWGCYNR-ZRGWGRIASA-N 1 1 366.469 0.856 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n(C)n3)n[nH]2)O1 ZINC001130759682 1202781033 /nfs/dbraw/zinc/78/10/33/1202781033.db2.gz FNHGFDMECKFDTC-GXTWGEPZSA-N 1 1 357.418 0.220 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n(C)n3)n[nH]2)O1 ZINC001130760059 1202782459 /nfs/dbraw/zinc/78/24/59/1202782459.db2.gz VYTYVMNCPREXLZ-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@](C)(O)C3CC3)n[nH]2)O1 ZINC001130774959 1202782769 /nfs/dbraw/zinc/78/27/69/1202782769.db2.gz GUOIZAYIFUWJPQ-PMUMKWKESA-N 1 1 361.446 0.415 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3COC(=O)C3)n[nH]2)O1 ZINC001130775331 1202783174 /nfs/dbraw/zinc/78/31/74/1202783174.db2.gz RIQDVVATAAMTOB-FRRDWIJNSA-N 1 1 363.418 0.370 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cc(C)cn3)n[nH]2)O1 ZINC001130764997 1202783926 /nfs/dbraw/zinc/78/39/26/1202783926.db2.gz BUMTYXTZWLJHBC-UONOGXRCSA-N 1 1 359.434 0.622 20 30 FCEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]Cc3cccnc3)O2)n1 ZINC001130770006 1202786540 /nfs/dbraw/zinc/78/65/40/1202786540.db2.gz TZUGGSRQGORXIU-VHDGCEQUSA-N 1 1 369.429 0.985 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cc[nH]n3)n[nH]2)O1 ZINC001130770019 1202786755 /nfs/dbraw/zinc/78/67/55/1202786755.db2.gz UXWVQJRWKJGTKO-UONOGXRCSA-N 1 1 357.418 0.220 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000806916230 1202788296 /nfs/dbraw/zinc/78/82/96/1202788296.db2.gz VIEYZVOCKJOVGT-WMZOPIPTSA-N 1 1 357.454 0.922 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000806916230 1202788298 /nfs/dbraw/zinc/78/82/98/1202788298.db2.gz VIEYZVOCKJOVGT-WMZOPIPTSA-N 1 1 357.454 0.922 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000806916227 1202788320 /nfs/dbraw/zinc/78/83/20/1202788320.db2.gz VIEYZVOCKJOVGT-AEFFLSMTSA-N 1 1 357.454 0.922 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000806916227 1202788321 /nfs/dbraw/zinc/78/83/21/1202788321.db2.gz VIEYZVOCKJOVGT-AEFFLSMTSA-N 1 1 357.454 0.922 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OCC)C3CC3)n[nH]2)O1 ZINC001130785017 1202788737 /nfs/dbraw/zinc/78/87/37/1202788737.db2.gz AUTSHPRLQQVZTN-SQWLQELKSA-N 1 1 361.446 0.679 20 30 FCEDMO C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)(C)C)n[nH]2)O1 ZINC001130785292 1202789518 /nfs/dbraw/zinc/78/95/18/1202789518.db2.gz JXLYUCULKPCUQN-MELADBBJSA-N 1 1 363.462 0.661 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@H]3CCOC3)n[nH]2)O1 ZINC001130782802 1202793756 /nfs/dbraw/zinc/79/37/56/1202793756.db2.gz DYCVYAZCFRYNSO-MELADBBJSA-N 1 1 365.434 0.222 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3ccnc3)n[nH]2)O1 ZINC001130794056 1202795225 /nfs/dbraw/zinc/79/52/25/1202795225.db2.gz KGDPLLYGIKFSCU-LSDHHAIUSA-N 1 1 371.445 0.541 20 30 FCEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCO)O3)n2)CCC1 ZINC001130790360 1202799097 /nfs/dbraw/zinc/79/90/97/1202799097.db2.gz WDYSGKHTFRLRFS-UONOGXRCSA-N 1 1 361.446 0.417 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cn(C)nc3C)n[nH]2)O1 ZINC001130790381 1202799632 /nfs/dbraw/zinc/79/96/32/1202799632.db2.gz XMXMARFNEPVTMG-LSDHHAIUSA-N 1 1 371.445 0.148 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(COC)CC3)n[nH]2)O1 ZINC001130792667 1202800230 /nfs/dbraw/zinc/80/02/30/1202800230.db2.gz QPCDDKKOFOIZJP-UONOGXRCSA-N 1 1 361.446 0.681 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3CCC)n[nH]2)O1 ZINC001130792483 1202800275 /nfs/dbraw/zinc/80/02/75/1202800275.db2.gz GVTMNLKBCWVOFX-SWLSCSKDSA-N 1 1 371.445 0.853 20 30 FCEDMO 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ZINC001130203066 1201539481 /nfs/dbraw/zinc/53/94/81/1201539481.db2.gz RLMTUWKEXPGJDY-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2O)n1 ZINC001130203288 1201539512 /nfs/dbraw/zinc/53/95/12/1201539512.db2.gz XBQMKDXISZMYFR-JSGCOSHPSA-N 1 1 370.413 0.321 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnnc(C)c2)n1 ZINC001130204730 1201539887 /nfs/dbraw/zinc/53/98/87/1201539887.db2.gz HEVPYIHNCAGJJO-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnnc(C)c2)n[nH]1 ZINC001130204730 1201539890 /nfs/dbraw/zinc/53/98/90/1201539890.db2.gz HEVPYIHNCAGJJO-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2(O)CCC2)n1 ZINC001130209460 1201542449 /nfs/dbraw/zinc/54/24/49/1201542449.db2.gz BCBFKSYXELHNEQ-KBPBESRZSA-N 1 1 361.446 0.211 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2(O)CCC2)n[nH]1 ZINC001130209460 1201542454 /nfs/dbraw/zinc/54/24/54/1201542454.db2.gz BCBFKSYXELHNEQ-KBPBESRZSA-N 1 1 361.446 0.211 20 30 FCEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n[nH]1 ZINC001130209684 1201543020 /nfs/dbraw/zinc/54/30/20/1201543020.db2.gz KNYOYVCSMYANNC-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+][C@@H](C)COC)n1 ZINC001130209684 1201543023 /nfs/dbraw/zinc/54/30/23/1201543023.db2.gz KNYOYVCSMYANNC-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccn2CC)[nH]1 ZINC001130207916 1201543352 /nfs/dbraw/zinc/54/33/52/1201543352.db2.gz WFRCOPGJDDRGNN-STQMWFEESA-N 1 1 357.418 0.046 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[n-]1 ZINC001130213040 1201544736 /nfs/dbraw/zinc/54/47/36/1201544736.db2.gz QMKRERIIIIMWAN-JONQDZQNSA-N 1 1 374.489 0.247 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[n-]1 ZINC001130213040 1201544740 /nfs/dbraw/zinc/54/47/40/1201544740.db2.gz QMKRERIIIIMWAN-JONQDZQNSA-N 1 1 374.489 0.247 20 30 FCEDMO CO[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130212823 1201545037 /nfs/dbraw/zinc/54/50/37/1201545037.db2.gz FRESYMHGVHIFQM-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO CO[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130212823 1201545040 /nfs/dbraw/zinc/54/50/40/1201545040.db2.gz FRESYMHGVHIFQM-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO COC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212792 1201545537 /nfs/dbraw/zinc/54/55/37/1201545537.db2.gz DDVYFKYLCPOXGL-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO COC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212792 1201545541 /nfs/dbraw/zinc/54/55/41/1201545541.db2.gz DDVYFKYLCPOXGL-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO N#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)[nH]1 ZINC001130200525 1201548954 /nfs/dbraw/zinc/54/89/54/1201548954.db2.gz OKWJBLZGCSCFNW-AAEUAGOBSA-N 1 1 361.381 0.366 20 30 FCEDMO N#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)[nH]1 ZINC001130200525 1201548960 /nfs/dbraw/zinc/54/89/60/1201548960.db2.gz OKWJBLZGCSCFNW-AAEUAGOBSA-N 1 1 361.381 0.366 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(OC)C2)n1 ZINC001130220916 1201551193 /nfs/dbraw/zinc/55/11/93/1201551193.db2.gz QQUIVIMMKKJMRA-WUCCLRPBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(OC)C2)n[nH]1 ZINC001130220916 1201551195 /nfs/dbraw/zinc/55/11/95/1201551195.db2.gz QQUIVIMMKKJMRA-WUCCLRPBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]nnc2C)n1 ZINC001130227925 1201555260 /nfs/dbraw/zinc/55/52/60/1201555260.db2.gz VZTNCXLSRBZFQT-RYUDHWBXSA-N 1 1 360.422 0.199 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]nnc2C)n[nH]1 ZINC001130227925 1201555263 /nfs/dbraw/zinc/55/52/63/1201555263.db2.gz VZTNCXLSRBZFQT-RYUDHWBXSA-N 1 1 360.422 0.199 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)cn2)[nH]1 ZINC001130230367 1201556817 /nfs/dbraw/zinc/55/68/17/1201556817.db2.gz VFEYFVYIQCMCKE-HOCLYGCPSA-N 1 1 368.441 0.842 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)c(C)cn2)n[nH]1 ZINC001130230367 1201556822 /nfs/dbraw/zinc/55/68/22/1201556822.db2.gz VFEYFVYIQCMCKE-HOCLYGCPSA-N 1 1 368.441 0.842 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]cc2F)n1 ZINC001130232897 1201558456 /nfs/dbraw/zinc/55/84/56/1201558456.db2.gz SGBJBYZAOOPWER-JQWIXIFHSA-N 1 1 361.381 0.082 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]cc2F)n[nH]1 ZINC001130232897 1201558459 /nfs/dbraw/zinc/55/84/59/1201558459.db2.gz SGBJBYZAOOPWER-JQWIXIFHSA-N 1 1 361.381 0.082 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2)n1 ZINC001130240505 1201561335 /nfs/dbraw/zinc/56/13/35/1201561335.db2.gz RVWZVANQRIORCB-KBPBESRZSA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2)n[nH]1 ZINC001130240505 1201561337 /nfs/dbraw/zinc/56/13/37/1201561337.db2.gz RVWZVANQRIORCB-KBPBESRZSA-N 1 1 355.402 0.010 20 30 FCEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)n1C ZINC000805569659 1201562239 /nfs/dbraw/zinc/56/22/39/1201562239.db2.gz KLVDQWCENSRUCZ-UHFFFAOYSA-N 1 1 358.377 0.429 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2C2CC2)[nH]1 ZINC001130246329 1201566039 /nfs/dbraw/zinc/56/60/39/1201566039.db2.gz FUMZNVMRLMSDRG-JSGCOSHPSA-N 1 1 369.429 0.431 20 30 FCEDMO C[NH+](C)CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130246405 1201566796 /nfs/dbraw/zinc/56/67/96/1201566796.db2.gz JUBLYDGFINIECH-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO C[NH+](C)CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130246405 1201566798 /nfs/dbraw/zinc/56/67/98/1201566798.db2.gz JUBLYDGFINIECH-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCCOC)[nH]1 ZINC001130247232 1201567038 /nfs/dbraw/zinc/56/70/38/1201567038.db2.gz ZLQKSYMARHQZML-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCCC(N)=O)n1 ZINC001130247122 1201567148 /nfs/dbraw/zinc/56/71/48/1201567148.db2.gz WFPBTHDAQFUSIR-STQMWFEESA-N 1 1 364.450 0.115 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCCC(N)=O)n[nH]1 ZINC001130247122 1201567151 /nfs/dbraw/zinc/56/71/51/1201567151.db2.gz WFPBTHDAQFUSIR-STQMWFEESA-N 1 1 364.450 0.115 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccn2)n1 ZINC001130247240 1201567906 /nfs/dbraw/zinc/56/79/06/1201567906.db2.gz ZSEJNKNFUJMYDO-STQMWFEESA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccn2)n[nH]1 ZINC001130247240 1201567910 /nfs/dbraw/zinc/56/79/10/1201567910.db2.gz ZSEJNKNFUJMYDO-STQMWFEESA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(C)n2)n1 ZINC001130249031 1201569044 /nfs/dbraw/zinc/56/90/44/1201569044.db2.gz GGSLQDDPMQWENJ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(C)n2)n[nH]1 ZINC001130249031 1201569048 /nfs/dbraw/zinc/56/90/48/1201569048.db2.gz GGSLQDDPMQWENJ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)n(C)c2C)[nH]1 ZINC001130249170 1201569305 /nfs/dbraw/zinc/56/93/05/1201569305.db2.gz NJDIHZCEXBBKPG-HOCLYGCPSA-N 1 1 370.457 0.785 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)n(C)c2C)n[nH]1 ZINC001130249170 1201569306 /nfs/dbraw/zinc/56/93/06/1201569306.db2.gz NJDIHZCEXBBKPG-HOCLYGCPSA-N 1 1 370.457 0.785 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]cnc2C)[nH]1 ZINC001130253914 1201571005 /nfs/dbraw/zinc/57/10/05/1201571005.db2.gz VWXBOXKUMWZQHO-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cnc[nH]2)CC1 ZINC001130290564 1201578080 /nfs/dbraw/zinc/57/80/80/1201578080.db2.gz DPMMHMAHASHYCI-APWZRJJASA-N 1 1 357.458 0.451 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130295480 1201579582 /nfs/dbraw/zinc/57/95/82/1201579582.db2.gz DFHPVORKYAOTPT-SIIHOXLZSA-N 1 1 364.490 0.549 20 30 FCEDMO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)CC1 ZINC000805763241 1201587189 /nfs/dbraw/zinc/58/71/89/1201587189.db2.gz RQMJBQNBEVIODH-QGZVFWFLSA-N 1 1 364.490 0.707 20 30 FCEDMO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)CC)CC1 ZINC000805763241 1201587192 /nfs/dbraw/zinc/58/71/92/1201587192.db2.gz RQMJBQNBEVIODH-QGZVFWFLSA-N 1 1 364.490 0.707 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCc3ccon3)[C@@H](O)C2)cc1 ZINC001220004514 1224724614 /nfs/dbraw/zinc/72/46/14/1224724614.db2.gz QYUQXHJGXDLMTE-MSOLQXFVSA-N 1 1 370.409 0.871 20 30 FCEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)CCc3ccon3)[C@@H](O)C2)cc1 ZINC001220004514 1224724615 /nfs/dbraw/zinc/72/46/15/1224724615.db2.gz QYUQXHJGXDLMTE-MSOLQXFVSA-N 1 1 370.409 0.871 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001220047534 1224736915 /nfs/dbraw/zinc/73/69/15/1224736915.db2.gz CEQZZZKDLBQFQG-XHSDSOJGSA-N 1 1 361.446 0.273 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1c1cn(C)cn1 ZINC001130531767 1202709836 /nfs/dbraw/zinc/70/98/36/1202709836.db2.gz FOSYMEGZFMCFAC-JQHSSLGASA-N 1 1 361.490 0.601 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001130578024 1202721096 /nfs/dbraw/zinc/72/10/96/1202721096.db2.gz AKQLJISUITVCPW-HLLBOEOZSA-N 1 1 369.473 0.997 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130572242 1202721215 /nfs/dbraw/zinc/72/12/15/1202721215.db2.gz ZMLQOZSDDDDDRS-LESCRADOSA-N 1 1 359.430 0.819 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130644036 1202744615 /nfs/dbraw/zinc/74/46/15/1202744615.db2.gz DAGYUFIXNZELKD-FUHWJXTLSA-N 1 1 369.473 0.826 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130689995 1202754513 /nfs/dbraw/zinc/75/45/13/1202754513.db2.gz RCGZGLXXRIANEC-UWWQBHOKSA-N 1 1 354.458 0.929 20 30 FCEDMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1 ZINC001130695402 1202757606 /nfs/dbraw/zinc/75/76/06/1202757606.db2.gz QNYREAQXVLZCDD-DOTOQJQBSA-N 1 1 355.446 0.813 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)cc1 ZINC001111678619 1202768146 /nfs/dbraw/zinc/76/81/46/1202768146.db2.gz MVYCJONPZSIJRP-KXBFYZLASA-N 1 1 356.426 0.935 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736362 1202769374 /nfs/dbraw/zinc/76/93/74/1202769374.db2.gz COBHPCMOOCMLMA-FUHWJXTLSA-N 1 1 363.506 0.847 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3)n[nH]2)O1 ZINC001130745177 1202773345 /nfs/dbraw/zinc/77/33/45/1202773345.db2.gz UDQTTYGCSHCHOV-LSDHHAIUSA-N 1 1 354.414 0.963 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(C)=O)n[nH]2)O1 ZINC001130747075 1202774722 /nfs/dbraw/zinc/77/47/22/1202774722.db2.gz OCSVDHPWQSHVSY-UONOGXRCSA-N 1 1 364.450 0.333 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3C)n[nH]2)O1 ZINC001130761904 1202778235 /nfs/dbraw/zinc/77/82/35/1202778235.db2.gz IFPGDPJWNMXQQN-GXTWGEPZSA-N 1 1 359.434 0.854 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3C)n[nH]2)O1 ZINC001130775242 1202783312 /nfs/dbraw/zinc/78/33/12/1202783312.db2.gz PXKQFKHFEGRZAG-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OC)n[nH]2)O1 ZINC001130765204 1202783942 /nfs/dbraw/zinc/78/39/42/1202783942.db2.gz HDTNSMGXQYLLKD-MELADBBJSA-N 1 1 367.450 0.468 20 30 FCEDMO CC(C)OCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)C#N)n[nH]2)O1 ZINC001130769635 1202786789 /nfs/dbraw/zinc/78/67/89/1202786789.db2.gz MPRVRKWLPYBMIL-HZSPNIEDSA-N 1 1 364.450 0.815 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3oc(C)nc3C)n[nH]2)O1 ZINC001130772148 1202787537 /nfs/dbraw/zinc/78/75/37/1202787537.db2.gz ARXQUDCYGBCUNR-QWHCGFSZSA-N 1 1 358.402 0.782 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[nH]2)O1 ZINC001130777178 1202790804 /nfs/dbraw/zinc/79/08/04/1202790804.db2.gz VNUGJMZSZLWQDU-DNWYELSFSA-N 1 1 354.414 0.905 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(=O)NC)n[nH]2)O1 ZINC001130778248 1202791612 /nfs/dbraw/zinc/79/16/12/1202791612.db2.gz NJVVULJNJAANRK-QWHCGFSZSA-N 1 1 364.450 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC(O)CC3)n[nH]2)O1 ZINC001130780801 1202792193 /nfs/dbraw/zinc/79/21/93/1202792193.db2.gz DMVBLDLMPJGWNT-PFSRBDOWSA-N 1 1 363.462 0.968 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc[nH]c3=O)n[nH]2)O1 ZINC001130787168 1202796756 /nfs/dbraw/zinc/79/67/56/1202796756.db2.gz CEISFHRQBGRADS-WCQYABFASA-N 1 1 371.401 0.063 20 30 FCEDMO 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371.420 0.849 20 30 FCEDMO Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001341528424 1269057609 /nfs/dbraw/zinc/05/76/09/1269057609.db2.gz FSCBLDZBSPKCQG-HNNXBMFYSA-N 1 1 368.445 0.425 20 30 FCEDMO CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)Cc1cc(C#N)ccc1F ZINC001561925657 1269290003 /nfs/dbraw/zinc/29/00/03/1269290003.db2.gz PFDAMTKKMPRYRL-AWEZNQCLSA-N 1 1 365.390 0.197 20 30 FCEDMO COCCN(CCC#N)S(=O)(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001562025982 1269316720 /nfs/dbraw/zinc/31/67/20/1269316720.db2.gz PVZIVTCCHQKFFD-UHFFFAOYSA-N 1 1 355.464 0.706 20 30 FCEDMO C=CCn1c(Cc2nnc[nH]2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001342177100 1269382447 /nfs/dbraw/zinc/38/24/47/1269382447.db2.gz JAXVKYSAHGVIKN-AWEZNQCLSA-N 1 1 372.477 0.863 20 30 FCEDMO COC(=O)C1(C#N)CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001564644362 1269427595 /nfs/dbraw/zinc/42/75/95/1269427595.db2.gz UDVTVXXHPYRWAE-UHFFFAOYSA-N 1 1 365.478 0.501 20 30 FCEDMO 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351.451 0.883 20 30 FCEDMO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)OCc2c[nH]nn2)CC1 ZINC001575109806 1271723596 /nfs/dbraw/zinc/72/35/96/1271723596.db2.gz CXAZAILJZLNGCH-GJZGRUSLSA-N 1 1 351.451 0.883 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2-c2c[nH]nn2)C1 ZINC001575110156 1271724434 /nfs/dbraw/zinc/72/44/34/1271724434.db2.gz KBHMSAOVYWUKLW-QZTJIDSGSA-N 1 1 371.441 0.378 20 30 FCEDMO C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)C#CC2CC2)C1)C(=O)NCc1c[nH]nn1 ZINC001575679422 1272293439 /nfs/dbraw/zinc/29/34/39/1272293439.db2.gz VIGHZEQZEASMJC-GOEBONIOSA-N 1 1 372.473 0.441 20 30 FCEDMO C[N@H+](CC(=O)NCc1cn[nH]n1)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001576781730 1273668533 /nfs/dbraw/zinc/66/85/33/1273668533.db2.gz ALKKKYLVXZSSTJ-UHFFFAOYSA-N 1 1 358.446 0.005 20 30 FCEDMO C[N@@H+](CC(=O)NCc1c[nH]nn1)CC1CCN(C(=O)C#CC2CC2)CC1 ZINC001576781730 1273668546 /nfs/dbraw/zinc/66/85/46/1273668546.db2.gz ALKKKYLVXZSSTJ-UHFFFAOYSA-N 1 1 358.446 0.005 20 30 FCEDMO 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FCEDMO CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)Nc2snc(C)c2C#N)CC[N@H+]1C ZINC001122710459 848532690 /nfs/dbraw/zinc/53/26/90/848532690.db2.gz ISHQAWCZYXKOIN-SGMGOOAPSA-N 1 1 351.476 0.943 20 30 FCEDMO C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1 ZINC001128724253 848761200 /nfs/dbraw/zinc/76/12/00/848761200.db2.gz XPXOCJPFWLGQKN-MJBXVCDLSA-N 1 1 352.464 0.037 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001128908100 848784857 /nfs/dbraw/zinc/78/48/57/848784857.db2.gz MNQXVHMRAYNTEQ-CABCVRRESA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001128908100 848784863 /nfs/dbraw/zinc/78/48/63/848784863.db2.gz MNQXVHMRAYNTEQ-CABCVRRESA-N 1 1 351.451 0.637 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001128930631 848787417 /nfs/dbraw/zinc/78/74/17/848787417.db2.gz XQEFKSJOFTXKDU-HLLBOEOZSA-N 1 1 351.451 0.372 20 30 FCEDMO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1n1ccnn1 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351.451 0.742 20 30 FCEDMO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190660 848967670 /nfs/dbraw/zinc/96/76/70/848967670.db2.gz JNYKGQYUQIGYMH-RYUDHWBXSA-N 1 1 352.464 0.548 20 30 FCEDMO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190660 848967673 /nfs/dbraw/zinc/96/76/73/848967673.db2.gz JNYKGQYUQIGYMH-RYUDHWBXSA-N 1 1 352.464 0.548 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190659 848967778 /nfs/dbraw/zinc/96/77/78/848967778.db2.gz JNYICVHROGAPHM-STQMWFEESA-N 1 1 362.459 0.163 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190659 848967785 /nfs/dbraw/zinc/96/77/85/848967785.db2.gz JNYICVHROGAPHM-STQMWFEESA-N 1 1 362.459 0.163 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)OC)n1 ZINC001130193173 848970401 /nfs/dbraw/zinc/97/04/01/848970401.db2.gz LQVCDFCCCOIZDI-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO 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C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(C)c2)n[nH]1 ZINC001130196208 1201532690 /nfs/dbraw/zinc/53/26/90/1201532690.db2.gz XAMZEWIYIGZKLJ-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)n2C)[nH]1 ZINC001130183104 1201536224 /nfs/dbraw/zinc/53/62/24/1201536224.db2.gz QANKTNBAAHXBBA-ZFWWWQNUSA-N 1 1 356.430 0.477 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)n2C)n[nH]1 ZINC001130183104 1201536228 /nfs/dbraw/zinc/53/62/28/1201536228.db2.gz QANKTNBAAHXBBA-ZFWWWQNUSA-N 1 1 356.430 0.477 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccco2)[nH]1 ZINC001130183003 1201536239 /nfs/dbraw/zinc/53/62/39/1201536239.db2.gz KPCBCXQUORBQDP-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n[nH]1 ZINC001130204772 1201540800 /nfs/dbraw/zinc/54/08/00/1201540800.db2.gz KAVRSYPUYKVQFQ-ILXRZTDVSA-N 1 1 363.462 0.457 20 30 FCEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n1 ZINC001130204772 1201540802 /nfs/dbraw/zinc/54/08/02/1201540802.db2.gz KAVRSYPUYKVQFQ-ILXRZTDVSA-N 1 1 363.462 0.457 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnnc(C)c2)n1 ZINC001130204845 1201540865 /nfs/dbraw/zinc/54/08/65/1201540865.db2.gz MQPLOSFDWWNGEK-GJZGRUSLSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnnc(C)c2)n[nH]1 ZINC001130204845 1201540869 /nfs/dbraw/zinc/54/08/69/1201540869.db2.gz MQPLOSFDWWNGEK-GJZGRUSLSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(OC)CCC2)[nH]1 ZINC001130205158 1201540960 /nfs/dbraw/zinc/54/09/60/1201540960.db2.gz SMMDJYOVLMLCTL-KBPBESRZSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccn(C)n2)n1 ZINC001130207935 1201542984 /nfs/dbraw/zinc/54/29/84/1201542984.db2.gz XGLFLYPOSOKXAT-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccn(C)n2)n[nH]1 ZINC001130207935 1201542989 /nfs/dbraw/zinc/54/29/89/1201542989.db2.gz XGLFLYPOSOKXAT-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCOC)n[nH]1 ZINC001130209606 1201543153 /nfs/dbraw/zinc/54/31/53/1201543153.db2.gz HIUYPMCTBJZMMH-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCOC)n1 ZINC001130209606 1201543157 /nfs/dbraw/zinc/54/31/57/1201543157.db2.gz HIUYPMCTBJZMMH-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C2CC2)[nH]1 ZINC001130210132 1201544278 /nfs/dbraw/zinc/54/42/78/1201544278.db2.gz XZDORXRRCSAGRU-DZKIICNBSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CCC(CC=C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130212745 1201544937 /nfs/dbraw/zinc/54/49/37/1201544937.db2.gz AQDGCXRPEBMRDN-GJZGRUSLSA-N 1 1 363.462 0.644 20 30 FCEDMO C=CCC(CC=C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130212745 1201544940 /nfs/dbraw/zinc/54/49/40/1201544940.db2.gz AQDGCXRPEBMRDN-GJZGRUSLSA-N 1 1 363.462 0.644 20 30 FCEDMO C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[nH]1 ZINC001130215697 1201546154 /nfs/dbraw/zinc/54/61/54/1201546154.db2.gz BZZJTQQERPALKU-AVGNSLFASA-N 1 1 364.450 0.113 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n[nH]1 ZINC001130216393 1201546646 /nfs/dbraw/zinc/54/66/46/1201546646.db2.gz WFAJAWIOTCVFTC-RDBSUJKOSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n1 ZINC001130216393 1201546650 /nfs/dbraw/zinc/54/66/50/1201546650.db2.gz WFAJAWIOTCVFTC-RDBSUJKOSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n[nH]1 ZINC001130202608 1201548564 /nfs/dbraw/zinc/54/85/64/1201548564.db2.gz FNCSGNVZFUEZSO-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC2CC2)n1 ZINC001130202608 1201548566 /nfs/dbraw/zinc/54/85/66/1201548566.db2.gz FNCSGNVZFUEZSO-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2)n1 ZINC001130240319 1201549943 /nfs/dbraw/zinc/54/99/43/1201549943.db2.gz NKLPAIQKKXRUSM-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2)n[nH]1 ZINC001130240319 1201549946 /nfs/dbraw/zinc/54/99/46/1201549946.db2.gz NKLPAIQKKXRUSM-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)COC)n1 ZINC001130222747 1201552219 /nfs/dbraw/zinc/55/22/19/1201552219.db2.gz CYQJFFBLVGZJOR-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(C)(C)COC)n[nH]1 ZINC001130222747 1201552222 /nfs/dbraw/zinc/55/22/22/1201552222.db2.gz CYQJFFBLVGZJOR-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2C)n1 ZINC001130223150 1201552301 /nfs/dbraw/zinc/55/23/01/1201552301.db2.gz OITKXFZJUXGPPK-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2C)n[nH]1 ZINC001130223150 1201552305 /nfs/dbraw/zinc/55/23/05/1201552305.db2.gz OITKXFZJUXGPPK-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]c(=O)[nH]c2C)n1 ZINC001130223446 1201552324 /nfs/dbraw/zinc/55/23/24/1201552324.db2.gz UTBJBOXJOSPHAK-QWRGUYRKSA-N 1 1 361.406 0.120 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]c(=O)[nH]c2C)n[nH]1 ZINC001130223446 1201552327 /nfs/dbraw/zinc/55/23/27/1201552327.db2.gz UTBJBOXJOSPHAK-QWRGUYRKSA-N 1 1 361.406 0.120 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)COC)[nH]1 ZINC001130223130 1201552576 /nfs/dbraw/zinc/55/25/76/1201552576.db2.gz NJPFAYDUEIFAEV-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130224956 1201554220 /nfs/dbraw/zinc/55/42/20/1201554220.db2.gz KJUPQECSWKWBJU-GJZGRUSLSA-N 1 1 363.462 0.459 20 30 FCEDMO C#CCCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130224956 1201554224 /nfs/dbraw/zinc/55/42/24/1201554224.db2.gz KJUPQECSWKWBJU-GJZGRUSLSA-N 1 1 363.462 0.459 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)CC)n1 ZINC001130227556 1201555165 /nfs/dbraw/zinc/55/51/65/1201555165.db2.gz DKOQEEMEVDSJNO-MJBXVCDLSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](F)CC)n[nH]1 ZINC001130227556 1201555168 /nfs/dbraw/zinc/55/51/68/1201555168.db2.gz DKOQEEMEVDSJNO-MJBXVCDLSA-N 1 1 369.441 0.834 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]cc2F)n1 ZINC001130232207 1201556712 /nfs/dbraw/zinc/55/67/12/1201556712.db2.gz CRMQCIFSVXMZMG-JQWIXIFHSA-N 1 1 363.397 0.635 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]cc2F)n[nH]1 ZINC001130232207 1201556714 /nfs/dbraw/zinc/55/67/14/1201556714.db2.gz CRMQCIFSVXMZMG-JQWIXIFHSA-N 1 1 363.397 0.635 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[nH]1 ZINC001130232882 1201558046 /nfs/dbraw/zinc/55/80/46/1201558046.db2.gz RUGKQCYYWRDPDU-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OC)C(C)C)n1 ZINC001130234765 1201559140 /nfs/dbraw/zinc/55/91/40/1201559140.db2.gz KFZVPAFYPLMLQW-DZKIICNBSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OC)C(C)C)n[nH]1 ZINC001130234765 1201559144 /nfs/dbraw/zinc/55/91/44/1201559144.db2.gz KFZVPAFYPLMLQW-DZKIICNBSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001130242065 1201561861 /nfs/dbraw/zinc/56/18/61/1201561861.db2.gz CSBBGSPNLZMHHT-JONQDZQNSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2C2CC2)n[nH]1 ZINC001130242065 1201561867 /nfs/dbraw/zinc/56/18/67/1201561867.db2.gz CSBBGSPNLZMHHT-JONQDZQNSA-N 1 1 357.458 0.952 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CCCOC2)n1 ZINC001130245137 1201564912 /nfs/dbraw/zinc/56/49/12/1201564912.db2.gz UDVGWMBCGPTSKD-DEYYWGMASA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)CCCOC2)n[nH]1 ZINC001130245137 1201564918 /nfs/dbraw/zinc/56/49/18/1201564918.db2.gz UDVGWMBCGPTSKD-DEYYWGMASA-N 1 1 363.462 0.886 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)n2cccc2)[nH]1 ZINC001130246346 1201566453 /nfs/dbraw/zinc/56/64/53/1201566453.db2.gz GXILUGJAIUYKCZ-JYJNAYRXSA-N 1 1 370.457 0.969 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(CC)cn2)n1 ZINC001130247055 1201566982 /nfs/dbraw/zinc/56/69/82/1201566982.db2.gz RYKQTWFVFVXEMS-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(CC)cn2)n[nH]1 ZINC001130247055 1201566988 /nfs/dbraw/zinc/56/69/88/1201566988.db2.gz RYKQTWFVFVXEMS-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)n2cccn2)[nH]1 ZINC001130247076 1201567776 /nfs/dbraw/zinc/56/77/76/1201567776.db2.gz SXWIHKCZNSXNLR-KKUMJFAQSA-N 1 1 371.445 0.364 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]cc2C)n1 ZINC001130249086 1201568616 /nfs/dbraw/zinc/56/86/16/1201568616.db2.gz JDFWBATZOXUCST-ZFWWWQNUSA-N 1 1 356.430 0.857 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]cc2C)n[nH]1 ZINC001130249086 1201568619 /nfs/dbraw/zinc/56/86/19/1201568619.db2.gz JDFWBATZOXUCST-ZFWWWQNUSA-N 1 1 356.430 0.857 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OCC=C)n1 ZINC001130251230 1201570154 /nfs/dbraw/zinc/57/01/54/1201570154.db2.gz JFQHDZFYXAELPH-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OCC=C)n[nH]1 ZINC001130251230 1201570156 /nfs/dbraw/zinc/57/01/56/1201570156.db2.gz JFQHDZFYXAELPH-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccnc2)[nH]1 ZINC001130251247 1201570163 /nfs/dbraw/zinc/57/01/63/1201570163.db2.gz JXYMNEAORIBRPF-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2ccnc2)n[nH]1 ZINC001130251247 1201570167 /nfs/dbraw/zinc/57/01/67/1201570167.db2.gz JXYMNEAORIBRPF-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001130422846 1201589939 /nfs/dbraw/zinc/58/99/39/1201589939.db2.gz BKTRAIZOMBAIGW-RKVPGOIHSA-N 1 1 360.458 0.890 20 30 FCEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)c2)[C@@H](O)C1 ZINC001219936116 1224689835 /nfs/dbraw/zinc/68/98/35/1224689835.db2.gz PLZFMKVLRMUNCH-UAGQMJEPSA-N 1 1 363.458 0.624 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)c3cccnc32)[C@@H](O)C1 ZINC001220045753 1224736827 /nfs/dbraw/zinc/73/68/27/1224736827.db2.gz HUUXROJCAYDHRO-CVEARBPZSA-N 1 1 359.430 0.104 20 30 FCEDMO 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CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCOC3)n[nH]2)O1 ZINC001130770187 1202786768 /nfs/dbraw/zinc/78/67/68/1202786768.db2.gz WYRQYWSPYLCMPZ-QLFBSQMISA-N 1 1 361.446 0.681 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3CC)n[nH]2)O1 ZINC001130778271 1202791970 /nfs/dbraw/zinc/79/19/70/1202791970.db2.gz OKSHDDGXEQKEFR-DZGCQCFKSA-N 1 1 371.445 0.784 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)nn(C)c3C)n[nH]2)O1 ZINC001130794498 1202795024 /nfs/dbraw/zinc/79/50/24/1202795024.db2.gz WFHRQLCASUQSIR-UONOGXRCSA-N 1 1 371.445 0.528 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)(C)COC)n[nH]2)O1 ZINC001130794046 1202795044 /nfs/dbraw/zinc/79/50/44/1202795044.db2.gz JVJSXDCHHCDWCO-UONOGXRCSA-N 1 1 363.462 0.927 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C3CCC3)n[nH]2)O1 ZINC001130794101 1202795495 /nfs/dbraw/zinc/79/54/95/1202795495.db2.gz MJIDVCFHDQIAMN-SQWLQELKSA-N 1 1 361.446 0.679 20 30 FCEDMO 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CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130991443 1202838258 /nfs/dbraw/zinc/83/82/58/1202838258.db2.gz KTLIMSDNCOWGIJ-HZPDHXFCSA-N 1 1 355.446 0.292 20 30 FCEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cncn2C)[nH]1 ZINC001130985384 1202839618 /nfs/dbraw/zinc/83/96/18/1202839618.db2.gz HLWFTEMORRORTI-HUUCEWRRSA-N 1 1 369.473 0.980 20 30 FCEDMO Cn1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cncn2C)nn1 ZINC001130985799 1202839762 /nfs/dbraw/zinc/83/97/62/1202839762.db2.gz QKFSPMBJSWDYOW-HZPDHXFCSA-N 1 1 369.473 0.682 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001131059651 1202853614 /nfs/dbraw/zinc/85/36/14/1202853614.db2.gz CAYCHTAHMFSCTA-HZPDHXFCSA-N 1 1 357.462 0.989 20 30 FCEDMO C#C[C@@H](NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000807811078 1202853839 /nfs/dbraw/zinc/85/38/39/1202853839.db2.gz WGEBHAJCSUEUCZ-IAGOWNOFSA-N 1 1 361.417 0.671 20 30 FCEDMO 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356.430 0.792 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2 ZINC001110648099 1209545279 /nfs/dbraw/zinc/54/52/79/1209545279.db2.gz VCLKZXMGNCUYNR-YUELXQCFSA-N 1 1 369.425 0.659 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[nH]c3ncn(C)c31)C2 ZINC001110648099 1209545284 /nfs/dbraw/zinc/54/52/84/1209545284.db2.gz VCLKZXMGNCUYNR-YUELXQCFSA-N 1 1 369.425 0.659 20 30 FCEDMO C#CCC[NH+]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 ZINC000776594488 1209547251 /nfs/dbraw/zinc/54/72/51/1209547251.db2.gz JGQCXUWCJDUICJ-UHFFFAOYSA-N 1 1 373.848 0.895 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCN(C)C2=O)CCOCC1 ZINC001110651082 1209552379 /nfs/dbraw/zinc/55/23/79/1209552379.db2.gz MJBHPDVHBBQDOZ-WCXIOVBPSA-N 1 1 359.470 0.759 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCN(C)C2=O)CCOCC1 ZINC001110651082 1209552388 /nfs/dbraw/zinc/55/23/88/1209552388.db2.gz MJBHPDVHBBQDOZ-WCXIOVBPSA-N 1 1 359.470 0.759 20 30 FCEDMO 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/nfs/dbraw/zinc/12/34/88/1268123488.db2.gz MBLIMTKORLGSNB-MRXNPFEDSA-N 1 1 359.478 0.429 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1=O ZINC001339604293 1268280139 /nfs/dbraw/zinc/28/01/39/1268280139.db2.gz KLAXUSUKAFQIEK-KBPBESRZSA-N 1 1 366.487 0.717 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1=O ZINC001339604293 1268280147 /nfs/dbraw/zinc/28/01/47/1268280147.db2.gz KLAXUSUKAFQIEK-KBPBESRZSA-N 1 1 366.487 0.717 20 30 FCEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC001340057968 1268420561 /nfs/dbraw/zinc/42/05/61/1268420561.db2.gz NCDBRZLWUCPLFU-CYBMUJFWSA-N 1 1 353.386 0.206 20 30 FCEDMO C=C[C@H]1CCCCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC001340340452 1268516434 /nfs/dbraw/zinc/51/64/34/1268516434.db2.gz ZPHSQXPXYXZMDD-DLBZAZTESA-N 1 1 350.507 0.942 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CCO[C@@H](COCC)C1 ZINC001340397013 1268534559 /nfs/dbraw/zinc/53/45/59/1268534559.db2.gz BNVWXLCJNDVLNT-QWHCGFSZSA-N 1 1 351.407 0.191 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001340395718 1268534968 /nfs/dbraw/zinc/53/49/68/1268534968.db2.gz QOIFDVXYGVVGOS-AVGNSLFASA-N 1 1 351.407 0.190 20 30 FCEDMO C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001340464697 1268556666 /nfs/dbraw/zinc/55/66/66/1268556666.db2.gz YTFSNAIOKYDPGI-GJZGRUSLSA-N 1 1 360.462 0.369 20 30 FCEDMO C=CCn1c(Cc2nnc[nH]2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340486621 1268564258 /nfs/dbraw/zinc/56/42/58/1268564258.db2.gz CHLRTGSCEISXBM-CQSZACIVSA-N 1 1 358.450 0.474 20 30 FCEDMO CCn1c(-c2ncccc2CC#N)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001340707879 1268630855 /nfs/dbraw/zinc/63/08/55/1268630855.db2.gz DHEXTHMGPFKVFD-HNNXBMFYSA-N 1 1 353.430 0.947 20 30 FCEDMO CCn1c(-c2ncccc2CC#N)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001340707879 1268630861 /nfs/dbraw/zinc/63/08/61/1268630861.db2.gz DHEXTHMGPFKVFD-HNNXBMFYSA-N 1 1 353.430 0.947 20 30 FCEDMO C=CCn1c(Cn2cc(CCO)nn2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001340783639 1268654901 /nfs/dbraw/zinc/65/49/01/1268654901.db2.gz RTDBCWSINJKLQJ-HUUCEWRRSA-N 1 1 374.493 0.558 20 30 FCEDMO C[N@H+]1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001554355901 1268761865 /nfs/dbraw/zinc/76/18/65/1268761865.db2.gz CHBKFWXYCVFPJY-ZWKOTPCHSA-N 1 1 371.420 0.849 20 30 FCEDMO COCCN(CCC#N)c1nnc(C(C)C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001555555505 1268787170 /nfs/dbraw/zinc/78/71/70/1268787170.db2.gz VVEZCOAKJJHVBX-QGZVFWFLSA-N 1 1 350.467 0.835 20 30 FCEDMO C=C[C@@H](COC)NC(=O)C(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001341719772 1269169402 /nfs/dbraw/zinc/16/94/02/1269169402.db2.gz PHZURPYXRCBLKB-SFHVURJKSA-N 1 1 374.485 0.367 20 30 FCEDMO COC(=O)C1(C#N)CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC001563598501 1269392989 /nfs/dbraw/zinc/39/29/89/1269392989.db2.gz AIZRUTYDKJZHRK-UHFFFAOYSA-N 1 1 365.478 0.501 20 30 FCEDMO C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001342662895 1269555392 /nfs/dbraw/zinc/55/53/92/1269555392.db2.gz SOOXAXWIYNETAM-OAHLLOKOSA-N 1 1 362.478 0.132 20 30 FCEDMO COCC[NH+]1CCN(c2nnc(C[C@H](O)CC#N)n2CC(C)C)CC1 ZINC001342843423 1269638635 /nfs/dbraw/zinc/63/86/35/1269638635.db2.gz ZAGHGLDAWOELLJ-OAHLLOKOSA-N 1 1 350.467 0.520 20 30 FCEDMO C=C(C)Cn1c(-c2n[nH]nc2C)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001342870733 1269653517 /nfs/dbraw/zinc/65/35/17/1269653517.db2.gz CQVYGUKHEGERIG-AWEZNQCLSA-N 1 1 358.450 0.859 20 30 FCEDMO C#CCN1CCC[C@H]1c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOC ZINC001343107248 1269774501 /nfs/dbraw/zinc/77/45/01/1269774501.db2.gz RZDDAZULYWTDGY-IRXDYDNUSA-N 1 1 374.489 0.215 20 30 FCEDMO C#CCN1CCC[C@H]1c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOC ZINC001343107248 1269774505 /nfs/dbraw/zinc/77/45/05/1269774505.db2.gz RZDDAZULYWTDGY-IRXDYDNUSA-N 1 1 374.489 0.215 20 30 FCEDMO N#CCOc1cccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC001344795419 1270244586 /nfs/dbraw/zinc/24/45/86/1270244586.db2.gz KNCJIXWSJQLVAA-UHFFFAOYSA-N 1 1 360.414 0.044 20 30 FCEDMO C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCNCC1 ZINC001574604465 1271409937 /nfs/dbraw/zinc/40/99/37/1271409937.db2.gz QKYSKJFMWVEWBZ-INIZCTEOSA-N 1 1 351.495 0.183 20 30 FCEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCNCC1 ZINC001574604465 1271409940 /nfs/dbraw/zinc/40/99/40/1271409940.db2.gz QKYSKJFMWVEWBZ-INIZCTEOSA-N 1 1 351.495 0.183 20 30 FCEDMO C#CC[NH2+]C[C@H]1CN(C(=O)C2CCN(Cc3c[nH]nn3)CC2)CC[C@H]1C ZINC001575004716 1271690665 /nfs/dbraw/zinc/69/06/65/1271690665.db2.gz JSPLAXZZMFDZMP-WBVHZDCISA-N 1 1 358.490 0.724 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCCCc2cn[nH]n2)C[C@@H]1C ZINC001575004846 1271691400 /nfs/dbraw/zinc/69/14/00/1271691400.db2.gz NTJWTFVGDRNBFU-DOTOQJQBSA-N 1 1 374.489 0.484 20 30 FCEDMO C#CCNC(=O)C[NH2+]CC1(NC(=O)CCCc2c[nH]nn2)CCCCC1 ZINC001575004337 1271691500 /nfs/dbraw/zinc/69/15/00/1271691500.db2.gz DOPAEQJRXZDHMN-UHFFFAOYSA-N 1 1 360.462 0.286 20 30 FCEDMO C#CCNC(=O)C[NH2+]CC1(NC(=O)CCCc2cnn[nH]2)CCCCC1 ZINC001575004337 1271691509 /nfs/dbraw/zinc/69/15/09/1271691509.db2.gz DOPAEQJRXZDHMN-UHFFFAOYSA-N 1 1 360.462 0.286 20 30 FCEDMO C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575005010 1271691657 /nfs/dbraw/zinc/69/16/57/1271691657.db2.gz RVAUOOZJHQZTTN-CQSZACIVSA-N 1 1 368.441 0.661 20 30 FCEDMO C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575005010 1271691662 /nfs/dbraw/zinc/69/16/62/1271691662.db2.gz RVAUOOZJHQZTTN-CQSZACIVSA-N 1 1 368.441 0.661 20 30 FCEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3c[nH]nn3)CCCO2)cc1 ZINC001575022942 1271698642 /nfs/dbraw/zinc/69/86/42/1271698642.db2.gz WOCMEZPUKLOCGY-GOSISDBHSA-N 1 1 353.426 0.849 20 30 FCEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCc3cn[nH]n3)CCCO2)cc1 ZINC001575022942 1271698650 /nfs/dbraw/zinc/69/86/50/1271698650.db2.gz WOCMEZPUKLOCGY-GOSISDBHSA-N 1 1 353.426 0.849 20 30 FCEDMO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCc3cn[nH]n3)CCCO2)cc1 ZINC001575022942 1271698656 /nfs/dbraw/zinc/69/86/56/1271698656.db2.gz WOCMEZPUKLOCGY-GOSISDBHSA-N 1 1 353.426 0.849 20 30 FCEDMO C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001575049188 1271700789 /nfs/dbraw/zinc/70/07/89/1271700789.db2.gz XVVOMMYWJVDRHX-KRWDZBQOSA-N 1 1 361.494 0.079 20 30 FCEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575061045 1271703636 /nfs/dbraw/zinc/70/36/36/1271703636.db2.gz AKEDJWBSHYVINO-GJZGRUSLSA-N 1 1 374.489 0.994 20 30 FCEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575061045 1271703642 /nfs/dbraw/zinc/70/36/42/1271703642.db2.gz AKEDJWBSHYVINO-GJZGRUSLSA-N 1 1 374.489 0.994 20 30 FCEDMO C=C[C@@](C)(CCOC)C(=O)N1CCCO[C@H](C[NH2+]Cc2cnn[nH]2)C1 ZINC001575072620 1271707702 /nfs/dbraw/zinc/70/77/02/1271707702.db2.gz KQOGWZSIGFTCEL-WBVHZDCISA-N 1 1 351.451 0.741 20 30 FCEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001575079464 1271712570 /nfs/dbraw/zinc/71/25/70/1271712570.db2.gz XRSLZNPVGROMFL-ZIAGYGMSSA-N 1 1 362.478 0.850 20 30 FCEDMO C=CCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)CCn2cncn2)CC1 ZINC001575097020 1271716863 /nfs/dbraw/zinc/71/68/63/1271716863.db2.gz DXBHZLSHUKMGMF-UHFFFAOYSA-N 1 1 358.450 0.856 20 30 FCEDMO C=CCCCC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)CC1 ZINC001575087979 1271717526 /nfs/dbraw/zinc/71/75/26/1271717526.db2.gz RPEDDPLVZDMSLY-AWEZNQCLSA-N 1 1 362.478 0.994 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCc3c[nH]nn3)C2)nn1 ZINC001575099948 1271718143 /nfs/dbraw/zinc/71/81/43/1271718143.db2.gz GYBXXKGNCSYCIS-HIFRSBDPSA-N 1 1 358.450 0.798 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCc3cn[nH]n3)C2)nn1 ZINC001575099948 1271718150 /nfs/dbraw/zinc/71/81/50/1271718150.db2.gz GYBXXKGNCSYCIS-HIFRSBDPSA-N 1 1 358.450 0.798 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCc3cn[nH]n3)C2)nn1 ZINC001575099948 1271718156 /nfs/dbraw/zinc/71/81/56/1271718156.db2.gz GYBXXKGNCSYCIS-HIFRSBDPSA-N 1 1 358.450 0.798 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCc2cn[nH]n2)C3)nn1 ZINC001575100777 1271718652 /nfs/dbraw/zinc/71/86/52/1271718652.db2.gz WTDFVTGQNHKNJJ-BPUTZDHNSA-N 1 1 370.461 0.798 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCc2c[nH]nn2)C3)nn1 ZINC001575100777 1271718658 /nfs/dbraw/zinc/71/86/58/1271718658.db2.gz WTDFVTGQNHKNJJ-BPUTZDHNSA-N 1 1 370.461 0.798 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCc2c[nH]nn2)C3)nn1 ZINC001575100777 1271718666 /nfs/dbraw/zinc/71/86/66/1271718666.db2.gz WTDFVTGQNHKNJJ-BPUTZDHNSA-N 1 1 370.461 0.798 20 30 FCEDMO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1 ZINC001575100862 1271720241 /nfs/dbraw/zinc/72/02/41/1271720241.db2.gz XYQNWEKJPGXDRX-GDBMZVCRSA-N 1 1 351.451 0.536 20 30 FCEDMO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCCO1 ZINC001575100862 1271720247 /nfs/dbraw/zinc/72/02/47/1271720247.db2.gz XYQNWEKJPGXDRX-GDBMZVCRSA-N 1 1 351.451 0.536 20 30 FCEDMO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1 ZINC001575100862 1271720249 /nfs/dbraw/zinc/72/02/49/1271720249.db2.gz XYQNWEKJPGXDRX-GDBMZVCRSA-N 1 1 351.451 0.536 20 30 FCEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001575122014 1271732045 /nfs/dbraw/zinc/73/20/45/1271732045.db2.gz BOWDETPJIFZLML-GOSISDBHSA-N 1 1 358.490 0.963 20 30 FCEDMO CC(C)C#CC(=O)N(C)CC[C@H]([NH2+]CC(=O)NCc1c[nH]nn1)C(C)C ZINC001575318991 1271920019 /nfs/dbraw/zinc/92/00/19/1271920019.db2.gz VCGQQNHGNBBYHQ-INIZCTEOSA-N 1 1 362.478 0.543 20 30 FCEDMO C[C@H](CCNC(=O)CC#Cc1ccccc1)[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001575531392 1272183052 /nfs/dbraw/zinc/18/30/52/1272183052.db2.gz HOKRNMKBJGVUBJ-OAHLLOKOSA-N 1 1 368.441 0.347 20 30 FCEDMO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)NCc1c[nH]nn1 ZINC001575676017 1272288073 /nfs/dbraw/zinc/28/80/73/1272288073.db2.gz IABSHKBPWIHOPX-UKRRQHHQSA-N 1 1 358.446 0.051 20 30 FCEDMO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 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COc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCC(OC)CC1 ZINC000613349795 491978542 /nfs/dbraw/zinc/97/85/42/491978542.db2.gz GWCZRTDADJRFRF-UHFFFAOYSA-N 1 1 353.444 0.956 20 30 FCEDMO N#CCCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000603417552 492032033 /nfs/dbraw/zinc/03/20/33/492032033.db2.gz IQVDWBWJZBNVCP-MRXNPFEDSA-N 1 1 358.508 0.396 20 30 FCEDMO N#CCCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603417552 492032035 /nfs/dbraw/zinc/03/20/35/492032035.db2.gz IQVDWBWJZBNVCP-MRXNPFEDSA-N 1 1 358.508 0.396 20 30 FCEDMO COCC(=O)NC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000603682059 492040008 /nfs/dbraw/zinc/04/00/08/492040008.db2.gz YLMIVNXJXKWBPI-AWEZNQCLSA-N 1 1 350.463 0.945 20 30 FCEDMO COCC(=O)NC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000603882502 492044526 /nfs/dbraw/zinc/04/45/26/492044526.db2.gz SFKDUYSKNKFPQO-QGZVFWFLSA-N 1 1 356.426 0.891 20 30 FCEDMO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000597707328 492060879 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361.398 0.052 20 30 FCEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574838 492190334 /nfs/dbraw/zinc/19/03/34/492190334.db2.gz DUCCNFAYNQWSAB-GFCCVEGCSA-N 1 1 367.413 0.913 20 30 FCEDMO N#CCCN(CCC#N)C(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609157685 492199206 /nfs/dbraw/zinc/19/92/06/492199206.db2.gz ONYVHRYIJSIVID-INIZCTEOSA-N 1 1 360.462 0.056 20 30 FCEDMO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000599774889 492207363 /nfs/dbraw/zinc/20/73/63/492207363.db2.gz XGEVEIMRMGRNGU-CQSZACIVSA-N 1 1 355.402 0.636 20 30 FCEDMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609624038 492216894 /nfs/dbraw/zinc/21/68/94/492216894.db2.gz ZMQLJSKXLWTBRO-SFHVURJKSA-N 1 1 369.469 0.807 20 30 FCEDMO COc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)c(F)cc1C#N ZINC000599947714 492220641 /nfs/dbraw/zinc/22/06/41/492220641.db2.gz CPPYIUURPLGOFH-UHFFFAOYSA-N 1 1 366.418 0.809 20 30 FCEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000610132811 492235793 /nfs/dbraw/zinc/23/57/93/492235793.db2.gz KPVLHGAHJOFRDS-CQSZACIVSA-N 1 1 353.444 0.959 20 30 FCEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000610132811 492235796 /nfs/dbraw/zinc/23/57/96/492235796.db2.gz KPVLHGAHJOFRDS-CQSZACIVSA-N 1 1 353.444 0.959 20 30 FCEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000610259254 492240066 /nfs/dbraw/zinc/24/00/66/492240066.db2.gz CRDNNZGSBLNODI-KXBFYZLASA-N 1 1 352.394 0.792 20 30 FCEDMO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1 ZINC000610259254 492240069 /nfs/dbraw/zinc/24/00/69/492240069.db2.gz CRDNNZGSBLNODI-KXBFYZLASA-N 1 1 352.394 0.792 20 30 FCEDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000611017294 492274621 /nfs/dbraw/zinc/27/46/21/492274621.db2.gz FZEKDGNMLVLKEM-LBPRGKRZSA-N 1 1 368.415 0.856 20 30 FCEDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000611017294 492274624 /nfs/dbraw/zinc/27/46/24/492274624.db2.gz 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30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)cc1 ZINC001076790587 1195020518 /nfs/dbraw/zinc/02/05/18/1195020518.db2.gz HCOZWGKTIGLPAR-QZTJIDSGSA-N 1 1 357.410 0.945 20 30 FCEDMO C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001218912113 1224255177 /nfs/dbraw/zinc/25/51/77/1224255177.db2.gz PPFWDEVBUJEVAL-IXDOHACOSA-N 1 1 365.474 0.502 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001218912113 1224255184 /nfs/dbraw/zinc/25/51/84/1224255184.db2.gz PPFWDEVBUJEVAL-IXDOHACOSA-N 1 1 365.474 0.502 20 30 FCEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cc1 ZINC001076818618 1195032523 /nfs/dbraw/zinc/03/25/23/1195032523.db2.gz DMZYTIBGUVUYIT-IAGOWNOFSA-N 1 1 356.382 0.481 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cc1 ZINC001076818618 1195032526 /nfs/dbraw/zinc/03/25/26/1195032526.db2.gz DMZYTIBGUVUYIT-IAGOWNOFSA-N 1 1 356.382 0.481 20 30 FCEDMO COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C#N ZINC001076813014 1195035373 /nfs/dbraw/zinc/03/53/73/1195035373.db2.gz ZYKYFVDHSGORSW-BRWVUGGUSA-N 1 1 358.442 0.322 20 30 FCEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3)C[C@H]2O)c1 ZINC001076855608 1195051310 /nfs/dbraw/zinc/05/13/10/1195051310.db2.gz DVLODYJTMMRVTN-KBAYOESNSA-N 1 1 354.410 0.265 20 30 FCEDMO Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)c1 ZINC001076880705 1195058405 /nfs/dbraw/zinc/05/84/05/1195058405.db2.gz XKJZREGOULURNF-QZTJIDSGSA-N 1 1 354.410 0.903 20 30 FCEDMO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)c1 ZINC001076880705 1195058411 /nfs/dbraw/zinc/05/84/11/1195058411.db2.gz XKJZREGOULURNF-QZTJIDSGSA-N 1 1 354.410 0.903 20 30 FCEDMO CNC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001076897397 1195065384 /nfs/dbraw/zinc/06/53/84/1195065384.db2.gz PXCFUTUFVLJZKR-IAGOWNOFSA-N 1 1 367.409 0.221 20 30 FCEDMO CNC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cc1 ZINC001076897397 1195065387 /nfs/dbraw/zinc/06/53/87/1195065387.db2.gz PXCFUTUFVLJZKR-IAGOWNOFSA-N 1 1 367.409 0.221 20 30 FCEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)[nH]1 ZINC001076890148 1195067151 /nfs/dbraw/zinc/06/71/51/1195067151.db2.gz LPXQVPMQQKTUPG-BRWVUGGUSA-N 1 1 358.373 0.534 20 30 FCEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(F)cc3)C[C@H]2O)[nH]1 ZINC001076890148 1195067155 /nfs/dbraw/zinc/06/71/55/1195067155.db2.gz LPXQVPMQQKTUPG-BRWVUGGUSA-N 1 1 358.373 0.534 20 30 FCEDMO Cn1nnc2cc(C[N@@H+]3C[C@@H](O)[C@H](NC(=O)c4c[nH]c(C#N)c4)C3)ccc21 ZINC001076906242 1195071188 /nfs/dbraw/zinc/07/11/88/1195071188.db2.gz RRECOOUNCBUMTQ-NVXWUHKLSA-N 1 1 365.397 0.143 20 30 FCEDMO Cn1nnc2cc(C[N@H+]3C[C@@H](O)[C@H](NC(=O)c4c[nH]c(C#N)c4)C3)ccc21 ZINC001076906242 1195071191 /nfs/dbraw/zinc/07/11/91/1195071191.db2.gz RRECOOUNCBUMTQ-NVXWUHKLSA-N 1 1 365.397 0.143 20 30 FCEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]2O)c[nH]1 ZINC001076906083 1195071212 /nfs/dbraw/zinc/07/12/12/1195071212.db2.gz MRLFWILPJVVICU-QZTJIDSGSA-N 1 1 366.421 0.839 20 30 FCEDMO COc1ccc(CC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC001076906023 1195071522 /nfs/dbraw/zinc/07/15/22/1195071522.db2.gz KFTCJZCRVGRKHH-QZTJIDSGSA-N 1 1 354.410 0.913 20 30 FCEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)c[nH]1 ZINC001076907409 1195072183 /nfs/dbraw/zinc/07/21/83/1195072183.db2.gz NUVPVFSHPBDCDF-QZTJIDSGSA-N 1 1 352.394 0.892 20 30 FCEDMO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]2O)c[nH]1 ZINC001076907409 1195072187 /nfs/dbraw/zinc/07/21/87/1195072187.db2.gz NUVPVFSHPBDCDF-QZTJIDSGSA-N 1 1 352.394 0.892 20 30 FCEDMO COc1cccc(OCC[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076907429 1195072539 /nfs/dbraw/zinc/07/25/39/1195072539.db2.gz OQCRCRYLHUTGGT-QZTJIDSGSA-N 1 1 370.409 0.749 20 30 FCEDMO COc1cccc(OCC[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076907429 1195072544 /nfs/dbraw/zinc/07/25/44/1195072544.db2.gz OQCRCRYLHUTGGT-QZTJIDSGSA-N 1 1 370.409 0.749 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001077018859 1195150954 /nfs/dbraw/zinc/15/09/54/1195150954.db2.gz FYHPHMGWKSHROI-TVFCKZIOSA-N 1 1 373.453 0.428 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001077018859 1195150962 /nfs/dbraw/zinc/15/09/62/1195150962.db2.gz FYHPHMGWKSHROI-TVFCKZIOSA-N 1 1 373.453 0.428 20 30 FCEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCC4)C2)cc1 ZINC001077097711 1195218359 /nfs/dbraw/zinc/21/83/59/1195218359.db2.gz DISYGTRYYYOSBG-QZTJIDSGSA-N 1 1 351.410 0.676 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc4n(n3)CCC4)C2)cc1 ZINC001077097711 1195218363 /nfs/dbraw/zinc/21/83/63/1195218363.db2.gz DISYGTRYYYOSBG-QZTJIDSGSA-N 1 1 351.410 0.676 20 30 FCEDMO N#Cc1cccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001077131337 1195247694 /nfs/dbraw/zinc/24/76/94/1195247694.db2.gz WYIDMNDYXLAJQP-FGTMMUONSA-N 1 1 365.437 0.994 20 30 FCEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077138617 1195251488 /nfs/dbraw/zinc/25/14/88/1195251488.db2.gz LDROEEHJOGIHRD-SJLPKXTDSA-N 1 1 357.458 0.908 20 30 FCEDMO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1O ZINC001077138617 1195251492 /nfs/dbraw/zinc/25/14/92/1195251492.db2.gz LDROEEHJOGIHRD-SJLPKXTDSA-N 1 1 357.458 0.908 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2F)C[C@H]1O ZINC001077158889 1195281197 /nfs/dbraw/zinc/28/11/97/1195281197.db2.gz CWXWLLKIXLYYFM-CEXWTWQISA-N 1 1 359.445 0.627 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2F)C[C@H]1O ZINC001077158889 1195281202 /nfs/dbraw/zinc/28/12/02/1195281202.db2.gz CWXWLLKIXLYYFM-CEXWTWQISA-N 1 1 359.445 0.627 20 30 FCEDMO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001077193636 1195311520 /nfs/dbraw/zinc/31/15/20/1195311520.db2.gz KPYSDHRUXUFRGN-XAWIXRBMSA-N 1 1 359.426 0.675 20 30 FCEDMO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001077193636 1195311523 /nfs/dbraw/zinc/31/15/23/1195311523.db2.gz KPYSDHRUXUFRGN-XAWIXRBMSA-N 1 1 359.426 0.675 20 30 FCEDMO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCNC(=O)C1 ZINC001077224010 1195326009 /nfs/dbraw/zinc/32/60/09/1195326009.db2.gz VNDFZCQICDDJSY-MDZRGWNJSA-N 1 1 356.426 0.136 20 30 FCEDMO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCNC(=O)C1 ZINC001077224010 1195326014 /nfs/dbraw/zinc/32/60/14/1195326014.db2.gz VNDFZCQICDDJSY-MDZRGWNJSA-N 1 1 356.426 0.136 20 30 FCEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@H]1O ZINC001077237296 1195340354 /nfs/dbraw/zinc/34/03/54/1195340354.db2.gz FJNAEYRQNNCTIR-FGTMMUONSA-N 1 1 360.433 0.843 20 30 FCEDMO C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]c(=O)[nH]c(=O)c3OC)[C@H]2C1 ZINC001218960000 1224274058 /nfs/dbraw/zinc/27/40/58/1224274058.db2.gz XSKORYZLVNUYSS-NWDGAFQWSA-N 1 1 364.402 0.388 20 30 FCEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc(C4CC4)cn3)C2)cc1 ZINC001077261727 1195358205 /nfs/dbraw/zinc/35/82/05/1195358205.db2.gz HUMFIJWGXUXDNW-RTBURBONSA-N 1 1 365.437 0.994 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc(C4CC4)cn3)C2)cc1 ZINC001077261727 1195358210 /nfs/dbraw/zinc/35/82/10/1195358210.db2.gz HUMFIJWGXUXDNW-RTBURBONSA-N 1 1 365.437 0.994 20 30 FCEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCn4ccnc4C3)C2)cc1 ZINC001077259511 1195364308 /nfs/dbraw/zinc/36/43/08/1195364308.db2.gz UDLOURHVZOPIKN-KZNAEPCWSA-N 1 1 365.437 0.679 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCn4ccnc4C3)C2)cc1 ZINC001077259511 1195364311 /nfs/dbraw/zinc/36/43/11/1195364311.db2.gz UDLOURHVZOPIKN-KZNAEPCWSA-N 1 1 365.437 0.679 20 30 FCEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001691634369 1195468600 /nfs/dbraw/zinc/46/86/00/1195468600.db2.gz SEMBKOOXWOXNNF-RRFJBIMHSA-N 1 1 363.466 0.056 20 30 FCEDMO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001083578034 1195522622 /nfs/dbraw/zinc/52/26/22/1195522622.db2.gz RQCOGGDHDUEIEE-MSOLQXFVSA-N 1 1 356.426 0.923 20 30 FCEDMO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)cc1 ZINC001083578034 1195522624 /nfs/dbraw/zinc/52/26/24/1195522624.db2.gz RQCOGGDHDUEIEE-MSOLQXFVSA-N 1 1 356.426 0.923 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)O1 ZINC001060187635 1195588111 /nfs/dbraw/zinc/58/81/11/1195588111.db2.gz VWYATTSAZBUTMP-QLFBSQMISA-N 1 1 358.446 0.542 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(C#N)n2)O1 ZINC001060187635 1195588113 /nfs/dbraw/zinc/58/81/13/1195588113.db2.gz VWYATTSAZBUTMP-QLFBSQMISA-N 1 1 358.446 0.542 20 30 FCEDMO CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212131753 1195622586 /nfs/dbraw/zinc/62/25/86/1195622586.db2.gz SWFDTOFGXVKHPJ-USXIJHARSA-N 1 1 362.430 0.511 20 30 FCEDMO CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212131753 1195622594 /nfs/dbraw/zinc/62/25/94/1195622594.db2.gz SWFDTOFGXVKHPJ-USXIJHARSA-N 1 1 362.430 0.511 20 30 FCEDMO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083618609 1195746763 /nfs/dbraw/zinc/74/67/63/1195746763.db2.gz LBBXVLHQNINCSK-QRVBRYPASA-N 1 1 370.453 0.478 20 30 FCEDMO CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083618609 1195746766 /nfs/dbraw/zinc/74/67/66/1195746766.db2.gz LBBXVLHQNINCSK-QRVBRYPASA-N 1 1 370.453 0.478 20 30 FCEDMO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)CNC(=O)c3ccccc3F)[C@H]2C1 ZINC001219032130 1224304452 /nfs/dbraw/zinc/30/44/52/1224304452.db2.gz RCQXRFKQTUNSBK-DLBZAZTESA-N 1 1 359.401 0.490 20 30 FCEDMO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)CNC(=O)c3ccccc3F)[C@H]2C1 ZINC001219032130 1224304459 /nfs/dbraw/zinc/30/44/59/1224304459.db2.gz RCQXRFKQTUNSBK-DLBZAZTESA-N 1 1 359.401 0.490 20 30 FCEDMO C=CCCOCC(=O)N1CCO[C@@H]2C[N@@H+](C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001219061954 1224327647 /nfs/dbraw/zinc/32/76/47/1224327647.db2.gz AMJXTQGPGZDKCA-IXDOHACOSA-N 1 1 365.474 0.407 20 30 FCEDMO CCc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n(C)n1 ZINC001083658787 1196363763 /nfs/dbraw/zinc/36/37/63/1196363763.db2.gz QLXBAWHYRSDMBE-MOPGFXCFSA-N 1 1 367.453 0.758 20 30 FCEDMO CCc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n(C)n1 ZINC001083658787 1196363767 /nfs/dbraw/zinc/36/37/67/1196363767.db2.gz QLXBAWHYRSDMBE-MOPGFXCFSA-N 1 1 367.453 0.758 20 30 FCEDMO C[NH+](C)CC#CCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 ZINC000913525153 1196449698 /nfs/dbraw/zinc/44/96/98/1196449698.db2.gz MFKJZRMGSNMKHX-KRWDZBQOSA-N 1 1 359.474 0.699 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1OC ZINC001212150014 1196479193 /nfs/dbraw/zinc/47/91/93/1196479193.db2.gz NEEFUGDYGNRQEI-QZTJIDSGSA-N 1 1 357.454 0.758 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1OC ZINC001212152664 1196483660 /nfs/dbraw/zinc/48/36/60/1196483660.db2.gz XQVBJMDCMCWQII-IAOVAPTHSA-N 1 1 361.417 0.842 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@H]1OC ZINC001212152664 1196483662 /nfs/dbraw/zinc/48/36/62/1196483662.db2.gz XQVBJMDCMCWQII-IAOVAPTHSA-N 1 1 361.417 0.842 20 30 FCEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592203491 1196560610 /nfs/dbraw/zinc/56/06/10/1196560610.db2.gz HFDAVRDELLGLEU-DJIMGWMZSA-N 1 1 357.410 0.909 20 30 FCEDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592203491 1196560611 /nfs/dbraw/zinc/56/06/11/1196560611.db2.gz HFDAVRDELLGLEU-DJIMGWMZSA-N 1 1 357.410 0.909 20 30 FCEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2cc(CN(C)c3cnc(C#N)cn3)nn2)C1 ZINC000594648063 1196733200 /nfs/dbraw/zinc/73/32/00/1196733200.db2.gz QUJAKKCAYVIUQF-QGZVFWFLSA-N 1 1 370.461 0.933 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@H]1C(F)(F)F ZINC001112117793 1196745391 /nfs/dbraw/zinc/74/53/91/1196745391.db2.gz BNQNIOVYKIOHHC-VXGBXAGGSA-N 1 1 371.363 0.070 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccc(=O)n3C)[C@H]2C)C1=O ZINC001088847597 1196788536 /nfs/dbraw/zinc/78/85/36/1196788536.db2.gz BVZHIJJJTOEORK-IJEWVQPXSA-N 1 1 358.442 0.365 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccc(=O)n3C)[C@H]2C)C1=O ZINC001088847597 1196788547 /nfs/dbraw/zinc/78/85/47/1196788547.db2.gz BVZHIJJJTOEORK-IJEWVQPXSA-N 1 1 358.442 0.365 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C)C1=O ZINC001088863404 1196807927 /nfs/dbraw/zinc/80/79/27/1196807927.db2.gz CPEYRRNRWHSFFB-TYNCELHUSA-N 1 1 359.430 0.093 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(C(N)=O)[nH]3)[C@H]2C)C1=O ZINC001088863404 1196807929 /nfs/dbraw/zinc/80/79/29/1196807929.db2.gz CPEYRRNRWHSFFB-TYNCELHUSA-N 1 1 359.430 0.093 20 30 FCEDMO 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OGFZNZYDCPIFED-SJORKVTESA-N 1 1 367.457 0.968 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129858261 1201406690 /nfs/dbraw/zinc/40/66/90/1201406690.db2.gz SKZRDTCISNHCKG-XHSDSOJGSA-N 1 1 353.430 0.486 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001129833874 1201409158 /nfs/dbraw/zinc/40/91/58/1201409158.db2.gz HSKOVQYSEGZLBY-SJORKVTESA-N 1 1 353.430 0.722 20 30 FCEDMO C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219903245 1224675626 /nfs/dbraw/zinc/67/56/26/1224675626.db2.gz WFHYHQUGNYLNML-CVEARBPZSA-N 1 1 368.522 0.303 20 30 FCEDMO C=CCC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001130023048 1201474969 /nfs/dbraw/zinc/47/49/69/1201474969.db2.gz STZKSHKZOPWYEK-CABCVRRESA-N 1 1 358.450 0.551 20 30 FCEDMO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130151019 1201516826 /nfs/dbraw/zinc/51/68/26/1201516826.db2.gz GCAAXEOODWFHAI-KFWWJZLASA-N 1 1 360.418 0.707 20 30 FCEDMO C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130148486 1201521236 /nfs/dbraw/zinc/52/12/36/1201521236.db2.gz RVGZOXWFIDMQMP-CVEARBPZSA-N 1 1 360.418 0.709 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2)[nH]1 ZINC001130177734 1201521756 /nfs/dbraw/zinc/52/17/56/1201521756.db2.gz RISJIZFXKBELGP-GJZGRUSLSA-N 1 1 354.414 0.615 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C)[nH]1 ZINC001130181730 1201525143 /nfs/dbraw/zinc/52/51/43/1201525143.db2.gz SLTXXDATJDFPGE-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC2CCCC2)[nH]1 ZINC001130186467 1201527414 /nfs/dbraw/zinc/52/74/14/1201527414.db2.gz DNRGBAMZQQZQGW-GJZGRUSLSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCn2cccn2)n1 ZINC001130186887 1201528042 /nfs/dbraw/zinc/52/80/42/1201528042.db2.gz PRWLZXXDBUGZLK-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCn2cccn2)n[nH]1 ZINC001130186887 1201528044 /nfs/dbraw/zinc/52/80/44/1201528044.db2.gz PRWLZXXDBUGZLK-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCOC2)n1 ZINC001130190748 1201528944 /nfs/dbraw/zinc/52/89/44/1201528944.db2.gz MKPATCAOXAGEKR-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCOC2)n[nH]1 ZINC001130190748 1201528951 /nfs/dbraw/zinc/52/89/51/1201528951.db2.gz MKPATCAOXAGEKR-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OC)n1 ZINC001130190530 1201529294 /nfs/dbraw/zinc/52/92/94/1201529294.db2.gz DSDIRARJNWOKIZ-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OC)n[nH]1 ZINC001130190530 1201529297 /nfs/dbraw/zinc/52/92/97/1201529297.db2.gz DSDIRARJNWOKIZ-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCOC2)n1 ZINC001130192950 1201530602 /nfs/dbraw/zinc/53/06/02/1201530602.db2.gz CAJIRMCJRAUEAA-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCOC2)n[nH]1 ZINC001130192950 1201530607 /nfs/dbraw/zinc/53/06/07/1201530607.db2.gz CAJIRMCJRAUEAA-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cc[nH]n2)n1 ZINC001130195758 1201531938 /nfs/dbraw/zinc/53/19/38/1201531938.db2.gz BBEDBECMYMKPAA-KBPBESRZSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cc[nH]n2)n[nH]1 ZINC001130195758 1201531941 /nfs/dbraw/zinc/53/19/41/1201531941.db2.gz BBEDBECMYMKPAA-KBPBESRZSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cc(C)on2)n1 ZINC001130198239 1201533625 /nfs/dbraw/zinc/53/36/25/1201533625.db2.gz BFIJUHIXXJOZGC-KBPBESRZSA-N 1 1 360.418 0.608 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cc(C)on2)n[nH]1 ZINC001130198239 1201533630 /nfs/dbraw/zinc/53/36/30/1201533630.db2.gz BFIJUHIXXJOZGC-KBPBESRZSA-N 1 1 360.418 0.608 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2C)[nH]1 ZINC001130196276 1201533935 /nfs/dbraw/zinc/53/39/35/1201533935.db2.gz ZZAZMXQKZGRSPQ-GJZGRUSLSA-N 1 1 356.430 0.857 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)noc2C)n1 ZINC001130183076 1201536012 /nfs/dbraw/zinc/53/60/12/1201536012.db2.gz OMGWSDMLUHXSNY-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)noc2C)n[nH]1 ZINC001130183076 1201536013 /nfs/dbraw/zinc/53/60/13/1201536013.db2.gz OMGWSDMLUHXSNY-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)=O)[nH]1 ZINC001130182975 1201536020 /nfs/dbraw/zinc/53/60/20/1201536020.db2.gz JNODYCMNEQDTHZ-GJZGRUSLSA-N 1 1 361.446 0.666 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccon2)[nH]1 ZINC001130203292 1201539306 /nfs/dbraw/zinc/53/93/06/1201539306.db2.gz XHJLDPIMNFNNQZ-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnn2CC)n1 ZINC001130205355 1201541176 /nfs/dbraw/zinc/54/11/76/1201541176.db2.gz XMMNPBDADBJZKH-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2CC)n[nH]1 ZINC001130205355 1201541180 /nfs/dbraw/zinc/54/11/80/1201541180.db2.gz XMMNPBDADBJZKH-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130207544 1201542237 /nfs/dbraw/zinc/54/22/37/1201542237.db2.gz FVOGFYJBLRZDOV-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130207544 1201542241 /nfs/dbraw/zinc/54/22/41/1201542241.db2.gz FVOGFYJBLRZDOV-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130207740 1201542271 /nfs/dbraw/zinc/54/22/71/1201542271.db2.gz NRNJYRILRYSSSU-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130207740 1201542273 /nfs/dbraw/zinc/54/22/73/1201542273.db2.gz NRNJYRILRYSSSU-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccn2CC)n1 ZINC001130207975 1201543267 /nfs/dbraw/zinc/54/32/67/1201543267.db2.gz YNUMCVXYLCXNFY-STQMWFEESA-N 1 1 359.434 0.599 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccn2CC)n[nH]1 ZINC001130207975 1201543271 /nfs/dbraw/zinc/54/32/71/1201543271.db2.gz YNUMCVXYLCXNFY-STQMWFEESA-N 1 1 359.434 0.599 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nn(C)cc2C)[nH]1 ZINC001130207878 1201543280 /nfs/dbraw/zinc/54/32/80/1201543280.db2.gz UCWIRNSTXFOTMQ-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCCO2)n1 ZINC001130200905 1201549163 /nfs/dbraw/zinc/54/91/63/1201549163.db2.gz ZSWWLDWUZIRLLA-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCCO2)n[nH]1 ZINC001130200905 1201549165 /nfs/dbraw/zinc/54/91/65/1201549165.db2.gz ZSWWLDWUZIRLLA-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n[nH]1 ZINC001130202863 1201549616 /nfs/dbraw/zinc/54/96/16/1201549616.db2.gz MMZJKKCSVLFPQU-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)OC)n1 ZINC001130202863 1201549620 /nfs/dbraw/zinc/54/96/20/1201549620.db2.gz MMZJKKCSVLFPQU-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]c3c2CCC3)[nH]1 ZINC001130220838 1201550861 /nfs/dbraw/zinc/55/08/61/1201550861.db2.gz NUGSEWNDQNWTDU-JSGCOSHPSA-N 1 1 369.429 0.042 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2ccnc2)[nH]1 ZINC001130224935 1201554300 /nfs/dbraw/zinc/55/43/00/1201554300.db2.gz JPBXWIJXUQDJPO-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2CC)n1 ZINC001130229922 1201555997 /nfs/dbraw/zinc/55/59/97/1201555997.db2.gz IEMBPKLIIQQVND-XGUBFFRZSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)n[nH]1 ZINC001130229922 1201555999 /nfs/dbraw/zinc/55/59/99/1201555999.db2.gz IEMBPKLIIQQVND-XGUBFFRZSA-N 1 1 363.462 0.884 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC(C)C)OC)[nH]1 ZINC001130232501 1201558386 /nfs/dbraw/zinc/55/83/86/1201558386.db2.gz IYYHCYAFNQEBAT-ZNMIVQPWSA-N 1 1 363.462 0.577 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nc(C)c[nH]2)[nH]1 ZINC001130242415 1201562355 /nfs/dbraw/zinc/56/23/55/1201562355.db2.gz WEWCXXQIPXHEJU-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CCC)c2)[nH]1 ZINC001130242231 1201562569 /nfs/dbraw/zinc/56/25/69/1201562569.db2.gz MYZFZYVLDXISCK-GJZGRUSLSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(CCC)c2)n[nH]1 ZINC001130242231 1201562571 /nfs/dbraw/zinc/56/25/71/1201562571.db2.gz MYZFZYVLDXISCK-GJZGRUSLSA-N 1 1 371.445 0.437 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2c[nH]cn2)n1 ZINC001130242102 1201562917 /nfs/dbraw/zinc/56/29/17/1201562917.db2.gz FMVIFYDWRQEGLO-KBPBESRZSA-N 1 1 359.434 0.425 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CCOC2)[nH]1 ZINC001130244341 1201563468 /nfs/dbraw/zinc/56/34/68/1201563468.db2.gz HQAFHSAMCLXJFP-DEYYWGMASA-N 1 1 361.446 0.333 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nc(C)c[nH]2)n1 ZINC001130242477 1201563999 /nfs/dbraw/zinc/56/39/99/1201563999.db2.gz YYPYWVFGSLIORC-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nc(C)c[nH]2)n[nH]1 ZINC001130242477 1201564002 /nfs/dbraw/zinc/56/40/02/1201564002.db2.gz YYPYWVFGSLIORC-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nc(C)n2)[nH]1 ZINC001130246152 1201566310 /nfs/dbraw/zinc/56/63/10/1201566310.db2.gz FPNKKVYXRHMCFJ-ZFWWWQNUSA-N 1 1 369.429 0.237 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nc(C)n2)n[nH]1 ZINC001130246152 1201566313 /nfs/dbraw/zinc/56/63/13/1201566313.db2.gz FPNKKVYXRHMCFJ-ZFWWWQNUSA-N 1 1 369.429 0.237 20 30 FCEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130298770 1201579807 /nfs/dbraw/zinc/57/98/07/1201579807.db2.gz GAKQBXMLXXNASH-DKSSEZFCSA-N 1 1 364.490 0.549 20 30 FCEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001219970547 1224706586 /nfs/dbraw/zinc/70/65/86/1224706586.db2.gz RBSOWQKAJVEKFR-IMJJTQAJSA-N 1 1 364.446 0.019 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H](O)C1 ZINC001219970558 1224706838 /nfs/dbraw/zinc/70/68/38/1224706838.db2.gz SAXGGRFLRYOUNI-XKQJLSEDSA-N 1 1 361.442 0.680 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130542835 1202714267 /nfs/dbraw/zinc/71/42/67/1202714267.db2.gz MJMCLQGYAHTZCZ-DOTOQJQBSA-N 1 1 358.446 0.473 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130578081 1202722282 /nfs/dbraw/zinc/72/22/82/1202722282.db2.gz CMGBJVDLHAJUFY-GOEBONIOSA-N 1 1 355.446 0.436 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001130580412 1202724822 /nfs/dbraw/zinc/72/48/22/1202724822.db2.gz DSSCCVFTNSPECY-FUHWJXTLSA-N 1 1 369.473 0.919 20 30 FCEDMO C=CCOCCN1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061150 1224741534 /nfs/dbraw/zinc/74/15/34/1224741534.db2.gz AREXDITYEZEEBN-MOPGFXCFSA-N 1 1 361.486 0.768 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130612017 1202730782 /nfs/dbraw/zinc/73/07/82/1202730782.db2.gz NZTOSJKCIQTXMB-ZXFNITATSA-N 1 1 352.442 0.854 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130762168 1202777822 /nfs/dbraw/zinc/77/78/22/1202777822.db2.gz NORVJZMUXYGFHC-MELADBBJSA-N 1 1 367.450 0.204 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cc(C)cn3)n[nH]2)O1 ZINC001130765239 1202784647 /nfs/dbraw/zinc/78/46/47/1202784647.db2.gz IVYKFAQUKHAYMI-LSDHHAIUSA-N 1 1 371.445 0.459 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(=O)CC)n[nH]2)O1 ZINC001130772633 1202788306 /nfs/dbraw/zinc/78/83/06/1202788306.db2.gz VFLCARDJAJARQN-QWHCGFSZSA-N 1 1 364.450 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnc(C)c3)n[nH]2)O1 ZINC001130776818 1202790092 /nfs/dbraw/zinc/79/00/92/1202790092.db2.gz MOAYLSPIYIJPJU-LSDHHAIUSA-N 1 1 369.429 0.666 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3N)n[nH]2)O1 ZINC001130778151 1202791501 /nfs/dbraw/zinc/79/15/01/1202791501.db2.gz IORIITATYCJCGF-CMPLNLGQSA-N 1 1 360.422 0.046 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CO[C@@H]3CCOC3)n[nH]2)O1 ZINC001130782801 1202793592 /nfs/dbraw/zinc/79/35/92/1202793592.db2.gz DYCVYAZCFRYNSO-BFHYXJOUSA-N 1 1 365.434 0.222 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CC)n3)n[nH]2)O1 ZINC001130783273 1202794225 /nfs/dbraw/zinc/79/42/25/1202794225.db2.gz UONGLYSFUYRIOI-WCQYABFASA-N 1 1 360.422 0.342 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)NC(=O)CC)n[nH]2)O1 ZINC001130787287 1202797138 /nfs/dbraw/zinc/79/71/38/1202797138.db2.gz JEQXDIJKEZHGAB-RWMBFGLXSA-N 1 1 364.450 0.331 20 30 FCEDMO CC[N@@H+](C)C(C)(C)C(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 ZINC001130790178 1202798799 /nfs/dbraw/zinc/79/87/99/1202798799.db2.gz LLCXDKXZXPUOGI-QWHCGFSZSA-N 1 1 363.466 0.484 20 30 FCEDMO 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/nfs/dbraw/zinc/17/18/77/1221171877.db2.gz PGLZOFVVYSCREV-KSSFIOAISA-N 1 1 359.430 0.372 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(OC)nc2)C1 ZINC001111924076 1221171879 /nfs/dbraw/zinc/17/18/79/1221171879.db2.gz PGLZOFVVYSCREV-KSSFIOAISA-N 1 1 359.430 0.372 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001111961432 1221186887 /nfs/dbraw/zinc/18/68/87/1221186887.db2.gz YABSZQXULQOQNT-DOXZYTNZSA-N 1 1 362.474 0.270 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001111961432 1221186889 /nfs/dbraw/zinc/18/68/89/1221186889.db2.gz YABSZQXULQOQNT-DOXZYTNZSA-N 1 1 362.474 0.270 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001111973327 1221190448 /nfs/dbraw/zinc/19/04/48/1221190448.db2.gz HGRHWRZWCKUCGP-LPHOPBHVSA-N 1 1 362.474 0.398 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001229666507 1226024027 /nfs/dbraw/zinc/02/40/27/1226024027.db2.gz MUOGETDVLKRHMY-MGPQQGTHSA-N 1 1 360.462 0.229 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001229666507 1226024035 /nfs/dbraw/zinc/02/40/35/1226024035.db2.gz MUOGETDVLKRHMY-MGPQQGTHSA-N 1 1 360.462 0.229 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NCC)C3)CC1 ZINC001112004345 1221197949 /nfs/dbraw/zinc/19/79/49/1221197949.db2.gz XIHQVTPSTLOAQT-PXNSSMCTSA-N 1 1 360.502 0.438 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001112014204 1221200316 /nfs/dbraw/zinc/20/03/16/1221200316.db2.gz MLXDKDQUSJDPFE-WRJMZIHJSA-N 1 1 356.470 0.889 20 30 FCEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001112014204 1221200322 /nfs/dbraw/zinc/20/03/22/1221200322.db2.gz MLXDKDQUSJDPFE-WRJMZIHJSA-N 1 1 356.470 0.889 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)NC(=O)C2CCC2)C1 ZINC001112026812 1221205591 /nfs/dbraw/zinc/20/55/91/1221205591.db2.gz GWPPOTJJPMVLDU-KNBMTAEXSA-N 1 1 361.486 0.912 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001112027428 1221205683 /nfs/dbraw/zinc/20/56/83/1221205683.db2.gz GVMASQWBLMDFGX-LIRRHRJNSA-N 1 1 371.441 0.067 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001112027428 1221205685 /nfs/dbraw/zinc/20/56/85/1221205685.db2.gz GVMASQWBLMDFGX-LIRRHRJNSA-N 1 1 371.441 0.067 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C(F)(F)F ZINC001112046851 1221207283 /nfs/dbraw/zinc/20/72/83/1221207283.db2.gz SREXJUFTWQXKDE-ZIAGYGMSSA-N 1 1 368.359 0.732 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C(F)(F)F ZINC001112068469 1221207810 /nfs/dbraw/zinc/20/78/10/1221207810.db2.gz ANSKEHCQCZDILF-IRUJWGPZSA-N 1 1 371.363 0.449 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C(F)(F)F ZINC001112082873 1221208775 /nfs/dbraw/zinc/20/87/75/1221208775.db2.gz SGJMFWYPXMSTHF-CHWSQXEVSA-N 1 1 369.347 0.243 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C(F)(F)F ZINC001112085980 1221208791 /nfs/dbraw/zinc/20/87/91/1221208791.db2.gz YMVPNXDDFFRKSU-CYZMBNFOSA-N 1 1 371.363 0.760 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1C(F)(F)F ZINC001112082977 1221208893 /nfs/dbraw/zinc/20/88/93/1221208893.db2.gz XJOFVWUPUQNPAP-DGCLKSJQSA-N 1 1 369.347 0.127 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@H]1C(F)(F)F ZINC001112098117 1221209129 /nfs/dbraw/zinc/20/91/29/1221209129.db2.gz VAJXTGWOIRIODZ-VXGBXAGGSA-N 1 1 371.363 0.070 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134884 1221210734 /nfs/dbraw/zinc/21/07/34/1221210734.db2.gz NIYZRECCTJSWCS-QJNCVLDKSA-N 1 1 371.403 0.852 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134884 1221210736 /nfs/dbraw/zinc/21/07/36/1221210736.db2.gz NIYZRECCTJSWCS-QJNCVLDKSA-N 1 1 371.403 0.852 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C(F)(F)F ZINC001112206974 1221216009 /nfs/dbraw/zinc/21/60/09/1221216009.db2.gz GHROUUNZARGNLG-CHWSQXEVSA-N 1 1 370.375 0.850 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C)[nH]n1)C2 ZINC001112272804 1221227770 /nfs/dbraw/zinc/22/77/70/1221227770.db2.gz LKHBNBPOBKTXNK-DOXZYTNZSA-N 1 1 357.458 0.688 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnn(C)n2)C1 ZINC001112278193 1221228639 /nfs/dbraw/zinc/22/86/39/1221228639.db2.gz CQHYCMCTRUJKOD-MPGHIAIKSA-N 1 1 362.478 0.910 20 30 FCEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001229624360 1226021518 /nfs/dbraw/zinc/02/15/18/1226021518.db2.gz LLHLYEOTQOBFCG-ZIAGYGMSSA-N 1 1 361.450 0.126 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1cnc[nH]1)C2 ZINC001112388018 1221251039 /nfs/dbraw/zinc/25/10/39/1221251039.db2.gz ICGQKBACLNKNKL-FTRWYGJKSA-N 1 1 371.485 0.699 20 30 FCEDMO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C)C2 ZINC001112429340 1221257806 /nfs/dbraw/zinc/25/78/06/1221257806.db2.gz WTYFPIBWYUZPAX-QKLQHJQFSA-N 1 1 360.502 0.438 20 30 FCEDMO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000784847678 1221262497 /nfs/dbraw/zinc/26/24/97/1221262497.db2.gz BNAPEBSSMNVIBN-OAHLLOKOSA-N 1 1 358.442 0.389 20 30 FCEDMO C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC001116094695 1221335708 /nfs/dbraw/zinc/33/57/08/1221335708.db2.gz WAHMVFCXBYBULJ-HOCLYGCPSA-N 1 1 369.425 0.831 20 30 FCEDMO C#CCOCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001116578186 1221372257 /nfs/dbraw/zinc/37/22/57/1221372257.db2.gz XYPXIQMCAJBCNX-IBGZPJMESA-N 1 1 361.486 0.760 20 30 FCEDMO CC#CCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001117034768 1221439413 /nfs/dbraw/zinc/43/94/13/1221439413.db2.gz ABQRSDGEMIREQU-UHFFFAOYSA-N 1 1 370.497 0.970 20 30 FCEDMO N#CCOc1ccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC001117177924 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QMTHXWAZRJKZEW-KDOFPFPSSA-N 1 1 360.414 0.410 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]nc2ccccc21 ZINC001230247622 1226068110 /nfs/dbraw/zinc/06/81/10/1226068110.db2.gz FIGZKBXYEPZPBC-HZPDHXFCSA-N 1 1 368.441 0.762 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC001119365203 1221907101 /nfs/dbraw/zinc/90/71/01/1221907101.db2.gz ZRCLLVJFTPSTEY-INIZCTEOSA-N 1 1 370.457 0.110 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC001119365203 1221907105 /nfs/dbraw/zinc/90/71/05/1221907105.db2.gz ZRCLLVJFTPSTEY-INIZCTEOSA-N 1 1 370.457 0.110 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC001119367671 1221907732 /nfs/dbraw/zinc/90/77/32/1221907732.db2.gz ZPBNXEPWPHETMZ-CABCVRRESA-N 1 1 358.446 0.231 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC001119367671 1221907736 /nfs/dbraw/zinc/90/77/36/1221907736.db2.gz ZPBNXEPWPHETMZ-CABCVRRESA-N 1 1 358.446 0.231 20 30 FCEDMO 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UQCKEGWKMVCCHI-IXDOHACOSA-N 1 1 367.490 0.796 20 30 FCEDMO C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001325551343 1264926298 /nfs/dbraw/zinc/92/62/98/1264926298.db2.gz UQCKEGWKMVCCHI-IXDOHACOSA-N 1 1 367.490 0.796 20 30 FCEDMO CN1CC[N@@H+](CCCNC(=O)C(=O)NCCCC#N)[C@@H](c2ccccc2)C1 ZINC001325560182 1264928471 /nfs/dbraw/zinc/92/84/71/1264928471.db2.gz YULSERONBHZHKJ-GOSISDBHSA-N 1 1 371.485 0.901 20 30 FCEDMO C[N@@H+]1CCN(CCCNC(=O)C(=O)NCCCC#N)[C@@H](c2ccccc2)C1 ZINC001325560182 1264928479 /nfs/dbraw/zinc/92/84/79/1264928479.db2.gz YULSERONBHZHKJ-GOSISDBHSA-N 1 1 371.485 0.901 20 30 FCEDMO C[N@H+]1CCN(CCCNC(=O)C(=O)NCCCC#N)[C@@H](c2ccccc2)C1 ZINC001325560182 1264928487 /nfs/dbraw/zinc/92/84/87/1264928487.db2.gz YULSERONBHZHKJ-GOSISDBHSA-N 1 1 371.485 0.901 20 30 FCEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001325953126 1265028862 /nfs/dbraw/zinc/02/88/62/1265028862.db2.gz MBHUBRVMDPDWFF-UHFFFAOYSA-N 1 1 359.474 0.808 20 30 FCEDMO CCOC(=O)CON=C(C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccn[nH]1 ZINC001326506715 1265122616 /nfs/dbraw/zinc/12/26/16/1265122616.db2.gz VYDAMQOJZDDBCR-JSGCOSHPSA-N 1 1 365.434 0.683 20 30 FCEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC#Cc1ccccc1 ZINC001327378871 1265295756 /nfs/dbraw/zinc/29/57/56/1265295756.db2.gz LCAXTYOGGMTJIE-UHFFFAOYSA-N 1 1 371.481 0.971 20 30 FCEDMO N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4[nH]cc[nH+]4)CC3)CC2=O)cc1 ZINC001327634915 1265380324 /nfs/dbraw/zinc/38/03/24/1265380324.db2.gz MPPVLEZHHVESPT-OAHLLOKOSA-N 1 1 364.409 0.983 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC001333517737 1266620173 /nfs/dbraw/zinc/62/01/73/1266620173.db2.gz IAUXTODLSNYYHY-RDTXWAMCSA-N 1 1 361.446 0.104 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC001333517737 1266620183 /nfs/dbraw/zinc/62/01/83/1266620183.db2.gz IAUXTODLSNYYHY-RDTXWAMCSA-N 1 1 361.446 0.104 20 30 FCEDMO COCCOCC[NH+]1CCN(c2nnc(-c3cncc(C#N)c3)n2C)CC1 ZINC001338325210 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1 1 359.478 0.749 20 30 FCEDMO COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CCC[C@H](C#N)C2)c1 ZINC001339226953 1268190764 /nfs/dbraw/zinc/19/07/64/1268190764.db2.gz YOBNMWWCKOLWDU-RHSMWYFYSA-N 1 1 356.426 0.930 20 30 FCEDMO Cn1c(C2=[NH+]N(c3ccccc3)[C@H](C#N)C2)nnc1N1CCS(=O)CC1 ZINC001339439943 1268238937 /nfs/dbraw/zinc/23/89/37/1268238937.db2.gz PHIRLADZCRLLFB-AWEZNQCLSA-N 1 1 369.454 0.890 20 30 FCEDMO Cn1c(-c2cnn(CCC#N)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001339444591 1268239792 /nfs/dbraw/zinc/23/97/92/1268239792.db2.gz AKIRPMYBTPIXKZ-HNNXBMFYSA-N 1 1 370.461 0.751 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](CS(N)(=O)=O)C1 ZINC001339774462 1268326282 /nfs/dbraw/zinc/32/62/82/1268326282.db2.gz MLNMNQGVBMGQRI-STQMWFEESA-N 1 1 354.480 0.346 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](CS(N)(=O)=O)C1 ZINC001339774462 1268326293 /nfs/dbraw/zinc/32/62/93/1268326293.db2.gz MLNMNQGVBMGQRI-STQMWFEESA-N 1 1 354.480 0.346 20 30 FCEDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC001340320896 1268508995 /nfs/dbraw/zinc/50/89/95/1268508995.db2.gz IWTQDZIHTWCOKW-MRXNPFEDSA-N 1 1 357.454 0.458 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC001340320896 1268509000 /nfs/dbraw/zinc/50/90/00/1268509000.db2.gz IWTQDZIHTWCOKW-MRXNPFEDSA-N 1 1 357.454 0.458 20 30 FCEDMO C=CCn1c(-c2cncc(C#N)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001340367053 1268524207 /nfs/dbraw/zinc/52/42/07/1268524207.db2.gz OTUWFVUFZXJSCK-INIZCTEOSA-N 1 1 351.414 0.919 20 30 FCEDMO C=CCn1c(-c2cncc(C#N)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001340367053 1268524215 /nfs/dbraw/zinc/52/42/15/1268524215.db2.gz OTUWFVUFZXJSCK-INIZCTEOSA-N 1 1 351.414 0.919 20 30 FCEDMO C=CCn1c(Cc2nnc[nH]2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340486620 1268564690 /nfs/dbraw/zinc/56/46/90/1268564690.db2.gz CHLRTGSCEISXBM-AWEZNQCLSA-N 1 1 358.450 0.474 20 30 FCEDMO COCCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001341100054 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SXHURMGYJDPYET-QGZVFWFLSA-N 1 1 372.473 0.904 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001342210883 1269401596 /nfs/dbraw/zinc/40/15/96/1269401596.db2.gz GRJOUWIGQHQYSU-SNVBAGLBSA-N 1 1 365.825 0.973 20 30 FCEDMO C=C(C)Cn1c(-c2nc(CC)no2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001342694931 1269566932 /nfs/dbraw/zinc/56/69/32/1269566932.db2.gz CZSFGUADDNAMQO-CYBMUJFWSA-N 1 1 359.434 0.987 20 30 FCEDMO C=C(C)Cn1c(-c2nc(CC)no2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001342694931 1269566937 /nfs/dbraw/zinc/56/69/37/1269566937.db2.gz CZSFGUADDNAMQO-CYBMUJFWSA-N 1 1 359.434 0.987 20 30 FCEDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001342807639 1269618592 /nfs/dbraw/zinc/61/85/92/1269618592.db2.gz ODLHAPBGKGCNFP-HNNXBMFYSA-N 1 1 373.457 0.670 20 30 FCEDMO COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001342945543 1269694013 /nfs/dbraw/zinc/69/40/13/1269694013.db2.gz VRHUBGYSJRGLIZ-ARFHVFGLSA-N 1 1 360.462 0.853 20 30 FCEDMO COCC[NH+]1CCN(c2nnc(-c3cn(CCCC#N)nn3)n2C)CC1 ZINC001343475270 1269920197 /nfs/dbraw/zinc/92/01/97/1269920197.db2.gz YNSYSWOGDNFJTQ-UHFFFAOYSA-N 1 1 359.438 0.146 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+]([C@@H]3CCOC3)CC2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001343786370 1270010772 /nfs/dbraw/zinc/01/07/72/1270010772.db2.gz DZWJIYCXLKWQCH-DNVCBOLYSA-N 1 1 374.489 0.543 20 30 FCEDMO C#CCN(C(=O)[C@@H]1CCOC[C@@H]1C)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001574895646 1271656717 /nfs/dbraw/zinc/65/67/17/1271656717.db2.gz XLCPIBRIWRWRON-MAUKXSAKSA-N 1 1 359.474 0.946 20 30 FCEDMO C#CC[NH2+]C1CCN(CCNC(=O)c2cncc(-c3cn[nH]n3)c2)CC1 ZINC001575005056 1271690351 /nfs/dbraw/zinc/69/03/51/1271690351.db2.gz SXPZWHADLCUKKB-UHFFFAOYSA-N 1 1 353.430 0.284 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCCCc2cn[nH]n2)[C@@H]1C ZINC001575005018 1271690959 /nfs/dbraw/zinc/69/09/59/1271690959.db2.gz RYHHVFHLKCNOMB-GDBMZVCRSA-N 1 1 360.462 0.236 20 30 FCEDMO C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575049198 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FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@](C)(O)C=C)n[nH]1 ZINC001130209524 1201543129 /nfs/dbraw/zinc/54/31/29/1201543129.db2.gz FMAYBAFVGNFSMY-SUNYJGFJSA-N 1 1 361.446 0.233 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccc(C)n2)n1 ZINC001130209724 1201544012 /nfs/dbraw/zinc/54/40/12/1201544012.db2.gz LUEROWSRRUUASV-KBPBESRZSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccc(C)n2)n[nH]1 ZINC001130209724 1201544016 /nfs/dbraw/zinc/54/40/16/1201544016.db2.gz LUEROWSRRUUASV-KBPBESRZSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccc(C)n2)n1 ZINC001130210041 1201544506 /nfs/dbraw/zinc/54/45/06/1201544506.db2.gz SNSRKNWUGUZTIG-KBPBESRZSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccc(C)n2)n[nH]1 ZINC001130210041 1201544508 /nfs/dbraw/zinc/54/45/08/1201544508.db2.gz SNSRKNWUGUZTIG-KBPBESRZSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130209971 1201544515 /nfs/dbraw/zinc/54/45/15/1201544515.db2.gz SHDGYJVSZOGYFF-SUNYJGFJSA-N 1 1 361.446 0.233 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(F)CCOCC2)[nH]1 ZINC001130216402 1201546899 /nfs/dbraw/zinc/54/68/99/1201546899.db2.gz WQWRNJOQYXWNQN-STQMWFEESA-N 1 1 365.409 0.035 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@H](C)CC)[nH]1 ZINC001130200361 1201547639 /nfs/dbraw/zinc/54/76/39/1201547639.db2.gz JRWMSTVQHLCDHF-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200498 1201548141 /nfs/dbraw/zinc/54/81/41/1201548141.db2.gz LXCBIFNNRJHRJL-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200498 1201548146 /nfs/dbraw/zinc/54/81/46/1201548146.db2.gz LXCBIFNNRJHRJL-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC2(F)F)n1 ZINC001130220623 1201548906 /nfs/dbraw/zinc/54/89/06/1201548906.db2.gz GHABKHLXGZYTOL-XQQFMLRXSA-N 1 1 367.400 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCC2(F)F)n[nH]1 ZINC001130220623 1201548911 /nfs/dbraw/zinc/54/89/11/1201548911.db2.gz GHABKHLXGZYTOL-XQQFMLRXSA-N 1 1 367.400 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2CCC)[nH]1 ZINC001130220900 1201550933 /nfs/dbraw/zinc/55/09/33/1201550933.db2.gz QJZSSUPNONKLBX-WFASDCNBSA-N 1 1 371.445 0.506 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#C)cc2)[nH]1 ZINC001130224950 1201553690 /nfs/dbraw/zinc/55/36/90/1201553690.db2.gz KGGJQFPSUWUIKO-IRXDYDNUSA-N 1 1 363.421 0.811 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#C)cc2)n[nH]1 ZINC001130224950 1201553694 /nfs/dbraw/zinc/55/36/94/1201553694.db2.gz KGGJQFPSUWUIKO-IRXDYDNUSA-N 1 1 363.421 0.811 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2ccnc2)[nH]1 ZINC001130225019 1201554396 /nfs/dbraw/zinc/55/43/96/1201554396.db2.gz NWQQNRVMOPZVES-GJZGRUSLSA-N 1 1 371.445 0.193 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cnoc2)[nH]1 ZINC001130229787 1201556335 /nfs/dbraw/zinc/55/63/35/1201556335.db2.gz GBPBWPUYJVMVGZ-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130230155 1201556761 /nfs/dbraw/zinc/55/67/61/1201556761.db2.gz OQZPXRNBOISNOP-KKUMJFAQSA-N 1 1 363.462 0.457 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130230155 1201556764 /nfs/dbraw/zinc/55/67/64/1201556764.db2.gz OQZPXRNBOISNOP-KKUMJFAQSA-N 1 1 363.462 0.457 20 30 FCEDMO C#Cc1cncc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC=C)n[nH]2)c1 ZINC001130234942 1201558874 /nfs/dbraw/zinc/55/88/74/1201558874.db2.gz QEICBXIWFBILAI-HOTGVXAUSA-N 1 1 366.425 0.759 20 30 FCEDMO C#Cc1cncc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC=C)n2)c1 ZINC001130234942 1201558875 /nfs/dbraw/zinc/55/88/75/1201558875.db2.gz QEICBXIWFBILAI-HOTGVXAUSA-N 1 1 366.425 0.759 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(F)CCOC2)n1 ZINC001130235211 1201559628 /nfs/dbraw/zinc/55/96/28/1201559628.db2.gz YOROQYXHTKVUOY-GDZNZVCISA-N 1 1 367.425 0.588 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(F)CCOC2)n[nH]1 ZINC001130235211 1201559632 /nfs/dbraw/zinc/55/96/32/1201559632.db2.gz YOROQYXHTKVUOY-GDZNZVCISA-N 1 1 367.425 0.588 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2cn[nH]c2)n1 ZINC001130242076 1201561892 /nfs/dbraw/zinc/56/18/92/1201561892.db2.gz DDBROWFUBOYFMB-KBPBESRZSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2cn[nH]c2)n[nH]1 ZINC001130242076 1201561895 /nfs/dbraw/zinc/56/18/95/1201561895.db2.gz DDBROWFUBOYFMB-KBPBESRZSA-N 1 1 359.434 0.425 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)n2ccnc2)[nH]1 ZINC001130242204 1201562701 /nfs/dbraw/zinc/56/27/01/1201562701.db2.gz LNZRFIISWXVICE-KKUMJFAQSA-N 1 1 371.445 0.364 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C3CC3)n2)[nH]1 ZINC001130242491 1201563849 /nfs/dbraw/zinc/56/38/49/1201563849.db2.gz ZTDAVLXPSSTFMH-JSGCOSHPSA-N 1 1 370.413 0.695 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ncccn2)n1 ZINC001130244487 1201564351 /nfs/dbraw/zinc/56/43/51/1201564351.db2.gz JFDNPXHRIXKKAU-KBPBESRZSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ncccn2)n[nH]1 ZINC001130244487 1201564358 /nfs/dbraw/zinc/56/43/58/1201564358.db2.gz JFDNPXHRIXKKAU-KBPBESRZSA-N 1 1 371.445 0.492 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC=C)n[nH]2)cn1 ZINC001130246659 1201566355 /nfs/dbraw/zinc/56/63/55/1201566355.db2.gz LPVPDVOFUNIVFS-HOTGVXAUSA-N 1 1 366.425 0.759 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC=C)n2)cn1 ZINC001130246659 1201566358 /nfs/dbraw/zinc/56/63/58/1201566358.db2.gz LPVPDVOFUNIVFS-HOTGVXAUSA-N 1 1 366.425 0.759 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CCOCC2)n1 ZINC001130246045 1201566476 /nfs/dbraw/zinc/56/64/76/1201566476.db2.gz BRULIIVPBMEHDW-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CCOCC2)n[nH]1 ZINC001130246045 1201566478 /nfs/dbraw/zinc/56/64/78/1201566478.db2.gz BRULIIVPBMEHDW-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(C)n2)n1 ZINC001130249118 1201568565 /nfs/dbraw/zinc/56/85/65/1201568565.db2.gz KOGNFFOCAFIIPC-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(C)n2)n[nH]1 ZINC001130249118 1201568568 /nfs/dbraw/zinc/56/85/68/1201568568.db2.gz KOGNFFOCAFIIPC-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cnc[nH]2)CC1 ZINC001130291067 1201578917 /nfs/dbraw/zinc/57/89/17/1201578917.db2.gz WJUPPZOESWIZIF-XLIONFOSSA-N 1 1 371.485 0.841 20 30 FCEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001130299129 1201579957 /nfs/dbraw/zinc/57/99/57/1201579957.db2.gz YHDWHVDBDXOZRZ-AEFFLSMTSA-N 1 1 360.502 0.437 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130431097 1201589800 /nfs/dbraw/zinc/58/98/00/1201589800.db2.gz PLGGFFBYLSFGJR-CWRNSKLLSA-N 1 1 370.457 0.501 20 30 FCEDMO N#CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130431097 1201589806 /nfs/dbraw/zinc/58/98/06/1201589806.db2.gz PLGGFFBYLSFGJR-CWRNSKLLSA-N 1 1 370.457 0.501 20 30 FCEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@@H](O)C1 ZINC001219941631 1224692477 /nfs/dbraw/zinc/69/24/77/1224692477.db2.gz IPRZPIYMBKDURW-SJORKVTESA-N 1 1 370.538 0.575 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H](O)C1 ZINC001219973418 1224708727 /nfs/dbraw/zinc/70/87/27/1224708727.db2.gz BSLYNHMHTUFWDD-IMJJTQAJSA-N 1 1 361.442 0.680 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130583892 1202722581 /nfs/dbraw/zinc/72/25/81/1202722581.db2.gz XCKVHXHQGWMMBA-DOTOQJQBSA-N 1 1 354.458 0.897 20 30 FCEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2nncn2C)c1 ZINC001130592720 1202726612 /nfs/dbraw/zinc/72/66/12/1202726612.db2.gz BPHHTHMEUBUURY-GOEBONIOSA-N 1 1 369.473 0.682 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)no3)n[nH]2)O1 ZINC001130756764 1202780774 /nfs/dbraw/zinc/78/07/74/1202780774.db2.gz ZHXMWSVUPSRALM-QWHCGFSZSA-N 1 1 358.402 0.864 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cccn3)n[nH]2)O1 ZINC001130759703 1202781376 /nfs/dbraw/zinc/78/13/76/1202781376.db2.gz GQBBHVZOMAJZEH-UONOGXRCSA-N 1 1 359.434 0.703 20 30 FCEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@@H](O)C1 ZINC001220073492 1224745170 /nfs/dbraw/zinc/74/51/70/1224745170.db2.gz CFQNRNZTACALDG-MLHJIOFPSA-N 1 1 369.506 0.754 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[nH]2)O1 ZINC001130775063 1202783082 /nfs/dbraw/zinc/78/30/82/1202783082.db2.gz KIKAAWPEWBXUMA-UONOGXRCSA-N 1 1 354.414 0.881 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCOC3)n[nH]2)O1 ZINC001130764975 1202783519 /nfs/dbraw/zinc/78/35/19/1202783519.db2.gz AUNXJTNSHOAFIX-SOUVJXGZSA-N 1 1 361.446 0.681 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCCOC)n[nH]2)O1 ZINC001130775482 1202784004 /nfs/dbraw/zinc/78/40/04/1202784004.db2.gz XOBNNGGJCVOYPG-UONOGXRCSA-N 1 1 367.450 0.470 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncoc3C)n[nH]2)O1 ZINC001130765393 1202784424 /nfs/dbraw/zinc/78/44/24/1202784424.db2.gz QDNIVWHFQWHBIW-QWHCGFSZSA-N 1 1 358.402 0.864 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C#N)c[nH]3)n[nH]2)O1 ZINC001130769812 1202786712 /nfs/dbraw/zinc/78/67/12/1202786712.db2.gz PLEFZIYGEQKRPL-GXTWGEPZSA-N 1 1 355.402 0.930 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@H]3CCC[N@@H+]3C)[n-]2)O1 ZINC001130772349 1202787342 /nfs/dbraw/zinc/78/73/42/1202787342.db2.gz IOCLJSUAOIFKFR-RRFJBIMHSA-N 1 1 360.462 0.348 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@H]3CCC[N@@H+]3C)[n-]2)O1 ZINC001130772629 1202788206 /nfs/dbraw/zinc/78/82/06/1202788206.db2.gz VDGITNRRNKRRQP-RRFJBIMHSA-N 1 1 362.478 0.901 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(=C)C)O2)n1 ZINC001130785222 1202788603 /nfs/dbraw/zinc/78/86/03/1202788603.db2.gz GLEFXFISGCWZRR-SOUVJXGZSA-N 1 1 361.446 0.845 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccn(C)n3)n[nH]2)O1 ZINC001130785015 1202788878 /nfs/dbraw/zinc/78/88/78/1202788878.db2.gz AUTOWEPZHASQDG-LSDHHAIUSA-N 1 1 371.445 0.230 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[nH]2)O1 ZINC001130777231 1202791017 /nfs/dbraw/zinc/79/10/17/1202791017.db2.gz XRLBNNZFZUPQBU-GXTWGEPZSA-N 1 1 353.386 0.377 20 30 FCEDMO 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C#CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@@H](C)C(=O)NCC#C)C1 ZINC001112093617 846373494 /nfs/dbraw/zinc/37/34/94/846373494.db2.gz FWTLOUMLVBACFK-BFHYXJOUSA-N 1 1 357.376 0.907 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001112092830 846374047 /nfs/dbraw/zinc/37/40/47/846374047.db2.gz PLMBGYLNUVJBAR-LALPHHSUSA-N 1 1 365.396 0.819 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1C(F)(F)F ZINC001112096181 846375300 /nfs/dbraw/zinc/37/53/00/846375300.db2.gz CZPOSCZSJAFBQY-DJLDLDEBSA-N 1 1 354.279 0.260 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C(F)(F)F ZINC001112098066 846377729 /nfs/dbraw/zinc/37/77/29/846377729.db2.gz RIMFNZUIRKCQEI-GHMZBOCLSA-N 1 1 357.336 0.060 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001112100766 846379229 /nfs/dbraw/zinc/37/92/29/846379229.db2.gz JQSRJOVCDMVLNQ-YNEHKIRRSA-N 1 1 363.380 0.528 20 30 FCEDMO 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ZINC001117594368 847100092 /nfs/dbraw/zinc/10/00/92/847100092.db2.gz ILXKCOMWIZQONF-GASCZTMLSA-N 1 1 355.479 0.699 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001117634611 847123251 /nfs/dbraw/zinc/12/32/51/847123251.db2.gz XPQJYBVGNPFFEM-AWEZNQCLSA-N 1 1 359.492 0.036 20 30 FCEDMO C=CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@@H](C)COC ZINC001118634551 847508937 /nfs/dbraw/zinc/50/89/37/847508937.db2.gz CXZWSGGYROIRSN-HOTGVXAUSA-N 1 1 355.479 0.653 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(COC)COC)CC2)C1 ZINC001119384678 847830265 /nfs/dbraw/zinc/83/02/65/847830265.db2.gz WODPJPXQWGUVPI-MRXNPFEDSA-N 1 1 352.479 0.073 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(COC)COC)CC2)C1 ZINC001119384678 847830277 /nfs/dbraw/zinc/83/02/77/847830277.db2.gz WODPJPXQWGUVPI-MRXNPFEDSA-N 1 1 352.479 0.073 20 30 FCEDMO C=CCn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@@]1(O)CCSC1 ZINC001121483330 848361741 /nfs/dbraw/zinc/36/17/41/848361741.db2.gz LVEFFQJYBGGXCX-CZUORRHYSA-N 1 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C=CCn1c(-c2cn(C)nn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000669038482 493456386 /nfs/dbraw/zinc/45/63/86/493456386.db2.gz NLIMBEKFVDSLJS-UHFFFAOYSA-N 1 1 360.466 0.807 20 30 FCEDMO C=C(CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000669586480 493512533 /nfs/dbraw/zinc/51/25/33/493512533.db2.gz RLLCBERHUXVBJB-UHFFFAOYSA-N 1 1 364.471 0.329 20 30 FCEDMO C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669817804 493528205 /nfs/dbraw/zinc/52/82/05/493528205.db2.gz OCNXDRHKIDBTLT-QWHCGFSZSA-N 1 1 356.496 0.605 20 30 FCEDMO C=CCN(C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](C)COC ZINC000664142235 493639389 /nfs/dbraw/zinc/63/93/89/493639389.db2.gz GRIUYSTVNVTTJN-IRXDYDNUSA-N 1 1 354.495 0.625 20 30 FCEDMO CC[NH+]1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000681341411 493757623 /nfs/dbraw/zinc/75/76/23/493757623.db2.gz ZJZHBBAICSCCFY-ROUUACIJSA-N 1 1 362.518 0.971 20 30 FCEDMO C=CCc1cc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc(OC)c1OC ZINC000419363105 534416060 /nfs/dbraw/zinc/41/60/60/534416060.db2.gz QMHIOJTYHPYGAB-UHFFFAOYSA-N 1 1 371.384 0.759 20 30 FCEDMO C=CCn1cc(CNC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)nn1 ZINC000425409162 534457934 /nfs/dbraw/zinc/45/79/34/534457934.db2.gz VNQUNUHKHNOAIS-UHFFFAOYSA-N 1 1 363.466 0.254 20 30 FCEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000411989446 534643505 /nfs/dbraw/zinc/64/35/05/534643505.db2.gz XDFJTTOOONBCKZ-DLBZAZTESA-N 1 1 353.426 0.843 20 30 FCEDMO C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000410907355 526277062 /nfs/dbraw/zinc/27/70/62/526277062.db2.gz CLTZXDLUEUBFFQ-UHFFFAOYSA-N 1 1 354.495 0.132 20 30 FCEDMO C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000410907355 526277066 /nfs/dbraw/zinc/27/70/66/526277066.db2.gz CLTZXDLUEUBFFQ-UHFFFAOYSA-N 1 1 354.495 0.132 20 30 FCEDMO CNC(=O)CC1CCN(C(NCC2(N(C)C)CCOCC2)=[NH+]C)CC1 ZINC000261787487 526350329 /nfs/dbraw/zinc/35/03/29/526350329.db2.gz PYTZKEJFCTZXMH-UHFFFAOYSA-N 1 1 353.511 0.521 20 30 FCEDMO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261991840 526353156 /nfs/dbraw/zinc/35/31/56/526353156.db2.gz RMEXROMXFSQSNZ-XJKSGUPXSA-N 1 1 371.551 0.306 20 30 FCEDMO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000261607172 526353259 /nfs/dbraw/zinc/35/32/59/526353259.db2.gz DUERFBDJQHDWIE-MRXNPFEDSA-N 1 1 369.535 0.180 20 30 FCEDMO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262805375 526360211 /nfs/dbraw/zinc/36/02/11/526360211.db2.gz SMMROPHGMJEWMH-MRXNPFEDSA-N 1 1 357.458 0.644 20 30 FCEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261659716 526372901 /nfs/dbraw/zinc/37/29/01/526372901.db2.gz BAHKZHOSNJTQBC-ZIAGYGMSSA-N 1 1 362.444 0.130 20 30 FCEDMO C[NH+]=C(NC[C@H](C)N(C)C1CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261823470 526374686 /nfs/dbraw/zinc/37/46/86/526374686.db2.gz UTPLXPQBKLRZGT-KPZWWZAWSA-N 1 1 364.494 0.355 20 30 FCEDMO C=CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361419 526379705 /nfs/dbraw/zinc/37/97/05/526379705.db2.gz ATIQBKVPXIHWKX-MRXNPFEDSA-N 1 1 365.503 0.404 20 30 FCEDMO C[NH+]=C(NCc1nc(-c2ccc(OC)cc2)n[nH]1)N1CCN(C(C)=O)CC1 ZINC000263226486 526388814 /nfs/dbraw/zinc/38/88/14/526388814.db2.gz GPCWABURSFNMLN-UHFFFAOYSA-N 1 1 371.445 0.720 20 30 FCEDMO C=C(C)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000126608051 526609980 /nfs/dbraw/zinc/60/99/80/526609980.db2.gz YFAQCZTXFGLGLF-UHFFFAOYSA-N 1 1 358.442 0.634 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000159097451 526725415 /nfs/dbraw/zinc/72/54/15/526725415.db2.gz DKBQPKPGBBUCGZ-HNNXBMFYSA-N 1 1 374.466 0.393 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000267214671 526725623 /nfs/dbraw/zinc/72/56/23/526725623.db2.gz HESVFXQWTSBHHI-IBGZPJMESA-N 1 1 354.410 0.522 20 30 FCEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000266525156 527108838 /nfs/dbraw/zinc/10/88/38/527108838.db2.gz BDGSRWVVQLLFRI-AWEZNQCLSA-N 1 1 362.405 0.138 20 30 FCEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(CCS(N)(=O)=O)CC1 ZINC000135260928 527499636 /nfs/dbraw/zinc/49/96/36/527499636.db2.gz HGIDNAXSFSQPPQ-UHFFFAOYSA-N 1 1 350.488 0.894 20 30 FCEDMO C=CC[N@H+](C)CCN(CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000411642910 527572223 /nfs/dbraw/zinc/57/22/23/527572223.db2.gz NVWKVDUZDMKRLW-UHFFFAOYSA-N 1 1 374.489 0.943 20 30 FCEDMO CN1CCN(C)[C@@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000329679396 546561168 /nfs/dbraw/zinc/56/11/68/546561168.db2.gz QVFOJXJJBDWZEU-KRWDZBQOSA-N 1 1 353.511 0.190 20 30 FCEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](O)C23CCCC3)CC1 ZINC000330328781 546843623 /nfs/dbraw/zinc/84/36/23/546843623.db2.gz LYANEVWPXFFSTR-OAHLLOKOSA-N 1 1 352.479 0.832 20 30 FCEDMO N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000589402482 546932412 /nfs/dbraw/zinc/93/24/12/546932412.db2.gz YJALMEHIHJDJHZ-HNNXBMFYSA-N 1 1 362.455 0.437 20 30 FCEDMO CCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592948855 546961452 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C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129438102 1201316271 /nfs/dbraw/zinc/31/62/71/1201316271.db2.gz OKCQQXZVRYKINK-CVEARBPZSA-N 1 1 360.462 0.598 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129461332 1201327378 /nfs/dbraw/zinc/32/73/78/1201327378.db2.gz WIBZECDEEHLETR-CVEARBPZSA-N 1 1 369.429 0.021 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129461332 1201327387 /nfs/dbraw/zinc/32/73/87/1201327387.db2.gz WIBZECDEEHLETR-CVEARBPZSA-N 1 1 369.429 0.021 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001086622946 1201336849 /nfs/dbraw/zinc/33/68/49/1201336849.db2.gz BFXCOIWWHTVTOJ-JKSUJKDBSA-N 1 1 354.410 0.146 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129680910 1201369341 /nfs/dbraw/zinc/36/93/41/1201369341.db2.gz GEHGSUUITPYHMV-CVEARBPZSA-N 1 1 357.418 0.121 20 30 FCEDMO 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C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130151393 1201517060 /nfs/dbraw/zinc/51/70/60/1201517060.db2.gz OZRURDWMBNHXHI-UAGQMJEPSA-N 1 1 356.430 0.806 20 30 FCEDMO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001130151264 1201517139 /nfs/dbraw/zinc/51/71/39/1201517139.db2.gz LGRWXAXVUWASAC-XYPHTWIQSA-N 1 1 371.445 0.509 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@@H](O)C1 ZINC001219910472 1224678952 /nfs/dbraw/zinc/67/89/52/1224678952.db2.gz DUUNCJQKAPJBPK-CVEARBPZSA-N 1 1 358.398 0.313 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@@H](O)C1 ZINC001219910472 1224678954 /nfs/dbraw/zinc/67/89/54/1224678954.db2.gz DUUNCJQKAPJBPK-CVEARBPZSA-N 1 1 358.398 0.313 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[n+]([O-])cc2)n1 ZINC001130181911 1201526172 /nfs/dbraw/zinc/52/61/72/1201526172.db2.gz XBLCBTVTIUHQDB-KBPBESRZSA-N 1 1 358.402 0.016 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[n+]([O-])cc2)n[nH]1 ZINC001130181911 1201526176 /nfs/dbraw/zinc/52/61/76/1201526176.db2.gz XBLCBTVTIUHQDB-KBPBESRZSA-N 1 1 358.402 0.016 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(=O)[nH]2)n1 ZINC001130198745 1201534774 /nfs/dbraw/zinc/53/47/74/1201534774.db2.gz ZAIHMWVWMCKBBD-AAEUAGOBSA-N 1 1 358.402 0.483 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(=O)[nH]2)n[nH]1 ZINC001130198745 1201534780 /nfs/dbraw/zinc/53/47/80/1201534780.db2.gz ZAIHMWVWMCKBBD-AAEUAGOBSA-N 1 1 358.402 0.483 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cccn2)n1 ZINC001130182942 1201536189 /nfs/dbraw/zinc/53/61/89/1201536189.db2.gz HSKJMWMSXKGJFP-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2cccn2)n[nH]1 ZINC001130182942 1201536192 /nfs/dbraw/zinc/53/61/92/1201536192.db2.gz HSKJMWMSXKGJFP-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)n2)[nH]1 ZINC001130184931 1201539078 /nfs/dbraw/zinc/53/90/78/1201539078.db2.gz NBNCXDDYJYKYLT-HOCLYGCPSA-N 1 1 368.441 0.924 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H](C)OC)[nH]1 ZINC001130205175 1201540430 /nfs/dbraw/zinc/54/04/30/1201540430.db2.gz TUYOCAFFDLRARP-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCC=C)n[nH]1 ZINC001130207514 1201541602 /nfs/dbraw/zinc/54/16/02/1201541602.db2.gz DPZAJGKPXYYKAR-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCC=C)n1 ZINC001130207514 1201541611 /nfs/dbraw/zinc/54/16/11/1201541611.db2.gz DPZAJGKPXYYKAR-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130209463 1201542884 /nfs/dbraw/zinc/54/28/84/1201542884.db2.gz BEADIZXMUVYHTN-GDZNZVCISA-N 1 1 369.441 0.570 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130209463 1201542892 /nfs/dbraw/zinc/54/28/92/1201542892.db2.gz BEADIZXMUVYHTN-GDZNZVCISA-N 1 1 369.441 0.570 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130209449 1201543448 /nfs/dbraw/zinc/54/34/48/1201543448.db2.gz ATDODFOUQWWXNX-DEYYWGMASA-N 1 1 363.462 0.620 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130209449 1201543451 /nfs/dbraw/zinc/54/34/51/1201543451.db2.gz ATDODFOUQWWXNX-DEYYWGMASA-N 1 1 363.462 0.620 20 30 FCEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n[nH]1 ZINC001130209884 1201543812 /nfs/dbraw/zinc/54/38/12/1201543812.db2.gz PLFHOGTYTPVYDU-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n1 ZINC001130209884 1201543822 /nfs/dbraw/zinc/54/38/22/1201543822.db2.gz PLFHOGTYTPVYDU-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C3CC3)o2)[nH]1 ZINC001130216177 1201546690 /nfs/dbraw/zinc/54/66/90/1201546690.db2.gz PTZNGAMPWYNOFV-STQMWFEESA-N 1 1 370.413 0.695 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nc(C)c2)[nH]1 ZINC001130216311 1201547266 /nfs/dbraw/zinc/54/72/66/1201547266.db2.gz SNCDNSBGKIJSHX-HOTGVXAUSA-N 1 1 368.441 0.842 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(F)CCOCC2)n1 ZINC001130216452 1201547670 /nfs/dbraw/zinc/54/76/70/1201547670.db2.gz XNIKUVUDSZJVPW-STQMWFEESA-N 1 1 367.425 0.588 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(F)CCOCC2)n[nH]1 ZINC001130216452 1201547674 /nfs/dbraw/zinc/54/76/74/1201547674.db2.gz XNIKUVUDSZJVPW-STQMWFEESA-N 1 1 367.425 0.588 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(COC)CC2)n1 ZINC001130223215 1201552451 /nfs/dbraw/zinc/55/24/51/1201552451.db2.gz QZTOOXVJCJUOEH-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(COC)CC2)n[nH]1 ZINC001130223215 1201552455 /nfs/dbraw/zinc/55/24/55/1201552455.db2.gz QZTOOXVJCJUOEH-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)cnn2C)n1 ZINC001130227897 1201555338 /nfs/dbraw/zinc/55/53/38/1201555338.db2.gz UMRQTHOGJJMTPW-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)cnn2C)n[nH]1 ZINC001130227897 1201555341 /nfs/dbraw/zinc/55/53/41/1201555341.db2.gz UMRQTHOGJJMTPW-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](COC)OC)n1 ZINC001130240119 1201556360 /nfs/dbraw/zinc/55/63/60/1201556360.db2.gz JIOAXXJFQRBHBJ-MELADBBJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](COC)OC)n[nH]1 ZINC001130240119 1201556365 /nfs/dbraw/zinc/55/63/65/1201556365.db2.gz JIOAXXJFQRBHBJ-MELADBBJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cnoc2)n1 ZINC001130230381 1201557269 /nfs/dbraw/zinc/55/72/69/1201557269.db2.gz VQZRBHOADITMDI-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cnoc2)n[nH]1 ZINC001130230381 1201557271 /nfs/dbraw/zinc/55/72/71/1201557271.db2.gz VQZRBHOADITMDI-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnnc2)[nH]1 ZINC001130240559 1201561257 /nfs/dbraw/zinc/56/12/57/1201561257.db2.gz UVHOGWRZMFGYTD-KBPBESRZSA-N 1 1 355.402 0.010 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2=CCOCC2)[nH]1 ZINC001130240519 1201562168 /nfs/dbraw/zinc/56/21/68/1201562168.db2.gz SNZRWCQTPAQLFU-GJZGRUSLSA-N 1 1 359.430 0.253 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnn2)n1 ZINC001130242145 1201562595 /nfs/dbraw/zinc/56/25/95/1201562595.db2.gz IITUABLFXXYRMB-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnn2)n[nH]1 ZINC001130242145 1201562599 /nfs/dbraw/zinc/56/25/99/1201562599.db2.gz IITUABLFXXYRMB-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO 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534014003 /nfs/dbraw/zinc/01/40/03/534014003.db2.gz UMKLJRGWAJJXCE-LLVKDONJSA-N 1 1 371.438 0.720 20 30 FCEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC(=O)NCC#N ZINC000186288295 534089819 /nfs/dbraw/zinc/08/98/19/534089819.db2.gz JOXKGXBKTAAHLN-ZDUSSCGKSA-N 1 1 350.444 0.859 20 30 FCEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC(=O)NCC#N ZINC000186288295 534089832 /nfs/dbraw/zinc/08/98/32/534089832.db2.gz JOXKGXBKTAAHLN-ZDUSSCGKSA-N 1 1 350.444 0.859 20 30 FCEDMO C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)nn1 ZINC000424908670 534461003 /nfs/dbraw/zinc/46/10/03/534461003.db2.gz PXXDBTVESAGWPV-ZBFHGGJFSA-N 1 1 360.462 0.413 20 30 FCEDMO N#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000267483632 534698938 /nfs/dbraw/zinc/69/89/38/534698938.db2.gz YFCVARWKKKPGOL-OAHLLOKOSA-N 1 1 372.425 0.708 20 30 FCEDMO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419149369 534757269 /nfs/dbraw/zinc/75/72/69/534757269.db2.gz KEJOPZKGATXESC-LSDHHAIUSA-N 1 1 350.463 0.270 20 30 FCEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCCCNc2ccc(C)c[nH+]2)C1=O ZINC000265617650 526396825 /nfs/dbraw/zinc/39/68/25/526396825.db2.gz PGPAXADIXBBQMV-UHFFFAOYSA-N 1 1 359.386 0.285 20 30 FCEDMO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000052157725 526587663 /nfs/dbraw/zinc/58/76/63/526587663.db2.gz HMLLUGMZUBIUCW-UHFFFAOYSA-N 1 1 350.463 0.969 20 30 FCEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000127374148 526730359 /nfs/dbraw/zinc/73/03/59/526730359.db2.gz FDMANBVEBOCZDD-AWEZNQCLSA-N 1 1 364.471 0.302 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000378641193 526975330 /nfs/dbraw/zinc/97/53/30/526975330.db2.gz YAEVOKBESWRDJW-CABCVRRESA-N 1 1 371.503 0.036 20 30 FCEDMO C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000265615308 527119904 /nfs/dbraw/zinc/11/99/04/527119904.db2.gz XBWZSVXYORBETH-KRWDZBQOSA-N 1 1 373.453 0.990 20 30 FCEDMO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000157157767 527452013 /nfs/dbraw/zinc/45/20/13/527452013.db2.gz WBABOANHTMVMBV-OAHLLOKOSA-N 1 1 358.442 0.874 20 30 FCEDMO C=CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000121176420 527572442 /nfs/dbraw/zinc/57/24/42/527572442.db2.gz VGYHYEVNSOEYMD-UHFFFAOYSA-N 1 1 355.435 0.776 20 30 FCEDMO C=CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000121176420 527572448 /nfs/dbraw/zinc/57/24/48/527572448.db2.gz VGYHYEVNSOEYMD-UHFFFAOYSA-N 1 1 355.435 0.776 20 30 FCEDMO CCN(CCC#N)S(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000409485769 528383180 /nfs/dbraw/zinc/38/31/80/528383180.db2.gz OWOINGWYFGMUJK-CVEARBPZSA-N 1 1 357.524 0.425 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000410155923 528708909 /nfs/dbraw/zinc/70/89/09/528708909.db2.gz VRLAERJDCLMBRC-ZIAGYGMSSA-N 1 1 360.480 0.282 20 30 FCEDMO CC[NH+]=C(NCCN1CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262567771 528804871 /nfs/dbraw/zinc/80/48/71/528804871.db2.gz MEBKDYLYDBZATQ-INIZCTEOSA-N 1 1 351.495 0.371 20 30 FCEDMO CC[NH+]=C(NC[C@H]1CN(CC(C)C)CCO1)N1CCN(C(C)=O)CC1 ZINC000263280047 528814085 /nfs/dbraw/zinc/81/40/85/528814085.db2.gz ZVSSCGYZFWWPSZ-KRWDZBQOSA-N 1 1 353.511 0.473 20 30 FCEDMO CCS(=O)(=O)NC1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000328637142 546513223 /nfs/dbraw/zinc/51/32/23/546513223.db2.gz AOMOMXMDOMWMKT-CYBMUJFWSA-N 1 1 358.508 0.788 20 30 FCEDMO C[C@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329536752 546557393 /nfs/dbraw/zinc/55/73/93/546557393.db2.gz LYJZCGXQTFVJLQ-ZDUSSCGKSA-N 1 1 358.508 0.812 20 30 FCEDMO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592145329 546612238 /nfs/dbraw/zinc/61/22/38/546612238.db2.gz SZCGFFLZNDSWKO-CRAIPNDOSA-N 1 1 350.415 0.932 20 30 FCEDMO N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000589402506 546932335 /nfs/dbraw/zinc/93/23/35/546932335.db2.gz ZWLVKMRAHJZUPJ-HNNXBMFYSA-N 1 1 362.455 0.437 20 30 FCEDMO CN(CCC#N)S(=O)(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000551011657 547120359 /nfs/dbraw/zinc/12/03/59/547120359.db2.gz VOXWHPYDZFQPAS-JKSUJKDBSA-N 1 1 352.460 0.302 20 30 FCEDMO C=CCSCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000552194259 547194777 /nfs/dbraw/zinc/19/47/77/547194777.db2.gz YAYROFPBHGPEMP-UHFFFAOYSA-N 1 1 357.520 0.839 20 30 FCEDMO C[NH+](C)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(F)cc1 ZINC000553547441 547287950 /nfs/dbraw/zinc/28/79/50/547287950.db2.gz FMOUTRMBRYYOGH-HUUCEWRRSA-N 1 1 356.423 0.487 20 30 FCEDMO N#Cc1ccc([C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C(N)=O)cc1 ZINC000822826334 599383551 /nfs/dbraw/zinc/38/35/51/599383551.db2.gz WJGGJQCBQJGTAP-INIZCTEOSA-N 1 1 363.381 0.933 20 30 FCEDMO C=CC[N@H+](CCN1CCCS1(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903923 607518731 /nfs/dbraw/zinc/51/87/31/607518731.db2.gz NGENVQSBWHZMOL-UHFFFAOYSA-N 1 1 362.459 0.890 20 30 FCEDMO C=CC[N@@H+](CCN1CCCS1(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903923 607518734 /nfs/dbraw/zinc/51/87/34/607518734.db2.gz NGENVQSBWHZMOL-UHFFFAOYSA-N 1 1 362.459 0.890 20 30 FCEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820016951 606699585 /nfs/dbraw/zinc/69/95/85/606699585.db2.gz RFDKBQRKDJUTPE-MRXNPFEDSA-N 1 1 374.453 0.091 20 30 FCEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000823909445 608119966 /nfs/dbraw/zinc/11/99/66/608119966.db2.gz DRPVLBOCWBHSLN-KRWDZBQOSA-N 1 1 367.457 0.771 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C ZINC000957903586 674555808 /nfs/dbraw/zinc/55/58/08/674555808.db2.gz GMIUGGBGFARCRW-BZPMIXESSA-N 1 1 362.455 0.523 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1C ZINC000957903586 674555810 /nfs/dbraw/zinc/55/58/10/674555810.db2.gz GMIUGGBGFARCRW-BZPMIXESSA-N 1 1 362.455 0.523 20 30 FCEDMO C[NH+]=C(NCCN1CCOCC1)NCC1(N2CCSCC2)CCCC1 ZINC000303869191 674572797 /nfs/dbraw/zinc/57/27/97/674572797.db2.gz DRVOHLKYHXUGIK-UHFFFAOYSA-N 1 1 369.579 0.845 20 30 FCEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC#C[C@@H]2CCCCO2)C1 ZINC000893100566 664204781 /nfs/dbraw/zinc/20/47/81/664204781.db2.gz OCHVLIAVUJVALA-CVEARBPZSA-N 1 1 350.463 0.446 20 30 FCEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C(C)(C)C1 ZINC000974879130 664289720 /nfs/dbraw/zinc/28/97/20/664289720.db2.gz NIJCJHSRAKJGIO-IKGGRYGDSA-N 1 1 351.491 0.879 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnns1 ZINC000976323272 664377031 /nfs/dbraw/zinc/37/70/31/664377031.db2.gz DBKJBHYDUSTPEY-MCIONIFRSA-N 1 1 361.471 0.793 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnns1 ZINC000976323272 664377035 /nfs/dbraw/zinc/37/70/35/664377035.db2.gz DBKJBHYDUSTPEY-MCIONIFRSA-N 1 1 361.471 0.793 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC ZINC001058817342 664469420 /nfs/dbraw/zinc/46/94/20/664469420.db2.gz GATWVMONBMNNAR-RDJZCZTQSA-N 1 1 355.479 0.247 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1OCC ZINC000982491485 664889536 /nfs/dbraw/zinc/88/95/36/664889536.db2.gz KZOSEHMORVEDDK-HZSPNIEDSA-N 1 1 357.401 0.329 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(F)F)C[C@H]1OCC ZINC000982491485 664889537 /nfs/dbraw/zinc/88/95/37/664889537.db2.gz KZOSEHMORVEDDK-HZSPNIEDSA-N 1 1 357.401 0.329 20 30 FCEDMO C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896549093 665093093 /nfs/dbraw/zinc/09/30/93/665093093.db2.gz MRXXPNBZCCBSAX-PMUMKWKESA-N 1 1 352.479 0.999 20 30 FCEDMO CC[N@H+]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 ZINC000910294486 666242579 /nfs/dbraw/zinc/24/25/79/666242579.db2.gz UWYPUMVMOGQGRN-ZDUSSCGKSA-N 1 1 364.471 0.668 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC2CCS(=O)(=O)CC2)C1 ZINC001032047164 666749713 /nfs/dbraw/zinc/74/97/13/666749713.db2.gz BYBKPSAGFYHVKJ-IRXDYDNUSA-N 1 1 370.515 0.840 20 30 FCEDMO C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000920001597 667217559 /nfs/dbraw/zinc/21/75/59/667217559.db2.gz VLLZISCECRNMRZ-WBMJQRKESA-N 1 1 354.451 0.751 20 30 FCEDMO C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000920001597 667217561 /nfs/dbraw/zinc/21/75/61/667217561.db2.gz VLLZISCECRNMRZ-WBMJQRKESA-N 1 1 354.451 0.751 20 30 FCEDMO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999996892 667259647 /nfs/dbraw/zinc/25/96/47/667259647.db2.gz KHJXMMBLRIHZOV-CFVMTHIKSA-N 1 1 369.853 0.698 20 30 FCEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3OCCO[C@H]3C)nn2)C1 ZINC000999996892 667259648 /nfs/dbraw/zinc/25/96/48/667259648.db2.gz KHJXMMBLRIHZOV-CFVMTHIKSA-N 1 1 369.853 0.698 20 30 FCEDMO CN(C)c1cc[nH+]c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000753014718 667536139 /nfs/dbraw/zinc/53/61/39/667536139.db2.gz FQKUQUUBDCHZIZ-UHFFFAOYSA-N 1 1 359.411 0.825 20 30 FCEDMO COC(=O)c1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)c[nH]1 ZINC000753162825 667542130 /nfs/dbraw/zinc/54/21/30/667542130.db2.gz ZXJHUYRCTVMAQQ-UHFFFAOYSA-N 1 1 353.448 0.322 20 30 FCEDMO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C#N)C1 ZINC000754380875 667595087 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O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NCC#Cc1ccccc1 ZINC001129891607 1201415251 /nfs/dbraw/zinc/41/52/51/1201415251.db2.gz OQJXTYLXVUNCOC-IAGOWNOFSA-N 1 1 365.437 0.387 20 30 FCEDMO C[N@@H+](CCC(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1)C1CCCCC1 ZINC001129949303 1201447409 /nfs/dbraw/zinc/44/74/09/1201447409.db2.gz XCJDYIGNXIDNKW-SJORKVTESA-N 1 1 359.478 0.798 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001086627346 1201461665 /nfs/dbraw/zinc/46/16/65/1201461665.db2.gz DOCUKTYKMYXUJT-IXDOHACOSA-N 1 1 353.422 0.647 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@@H]1n1ccnn1 ZINC001130083929 1201493290 /nfs/dbraw/zinc/49/32/90/1201493290.db2.gz QNMUSYJFJOALMV-MAZHCROVSA-N 1 1 356.434 0.119 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001130083929 1201493294 /nfs/dbraw/zinc/49/32/94/1201493294.db2.gz QNMUSYJFJOALMV-MAZHCROVSA-N 1 1 356.434 0.119 20 30 FCEDMO C#C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCCO1 ZINC000805306190 1201512607 /nfs/dbraw/zinc/51/26/07/1201512607.db2.gz SWJRJVCGAXTFOB-LDBYLJPUSA-N 1 1 362.474 0.550 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)cc2)[nH]1 ZINC001130181273 1201525340 /nfs/dbraw/zinc/52/53/40/1201525340.db2.gz FITAQFMIMZJOAS-GJZGRUSLSA-N 1 1 357.389 0.969 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(F)cc2)n[nH]1 ZINC001130181273 1201525344 /nfs/dbraw/zinc/52/53/44/1201525344.db2.gz FITAQFMIMZJOAS-GJZGRUSLSA-N 1 1 357.389 0.969 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2C)n1 ZINC001130186647 1201526659 /nfs/dbraw/zinc/52/66/59/1201526659.db2.gz IVSSPAPFSFJPKN-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2C)n[nH]1 ZINC001130186647 1201526663 /nfs/dbraw/zinc/52/66/63/1201526663.db2.gz IVSSPAPFSFJPKN-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCOC2)n1 ZINC001130190749 1201529282 /nfs/dbraw/zinc/52/92/82/1201529282.db2.gz MKPATCAOXAGEKR-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCOC2)n[nH]1 ZINC001130190749 1201529284 /nfs/dbraw/zinc/52/92/84/1201529284.db2.gz MKPATCAOXAGEKR-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnn2C)n1 ZINC001130193458 1201531871 /nfs/dbraw/zinc/53/18/71/1201531871.db2.gz YYCXTDMHJWSUST-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2C)n[nH]1 ZINC001130193458 1201531874 /nfs/dbraw/zinc/53/18/74/1201531874.db2.gz YYCXTDMHJWSUST-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198308 1201533384 /nfs/dbraw/zinc/53/33/84/1201533384.db2.gz FOCABUWQGIXFDG-AVGNSLFASA-N 1 1 364.450 0.113 20 30 FCEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198308 1201533390 /nfs/dbraw/zinc/53/33/90/1201533390.db2.gz FOCABUWQGIXFDG-AVGNSLFASA-N 1 1 364.450 0.113 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncoc2CC)n1 ZINC001130198347 1201533418 /nfs/dbraw/zinc/53/34/18/1201533418.db2.gz HGARSCVPQRHZPL-AAEUAGOBSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncoc2CC)n[nH]1 ZINC001130198347 1201533422 /nfs/dbraw/zinc/53/34/22/1201533422.db2.gz HGARSCVPQRHZPL-AAEUAGOBSA-N 1 1 360.418 0.933 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(=O)[nH]2)[nH]1 ZINC001130198670 1201534791 /nfs/dbraw/zinc/53/47/91/1201534791.db2.gz UNHKXSKSEZIOEP-JSGCOSHPSA-N 1 1 370.413 0.321 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn[nH]2)n1 ZINC001130185057 1201538366 /nfs/dbraw/zinc/53/83/66/1201538366.db2.gz UYDIKTHKKLUFDR-JSGCOSHPSA-N 1 1 359.434 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn[nH]2)n[nH]1 ZINC001130185057 1201538367 /nfs/dbraw/zinc/53/83/67/1201538367.db2.gz UYDIKTHKKLUFDR-JSGCOSHPSA-N 1 1 359.434 0.886 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)n2cccn2)n1 ZINC001130184861 1201538393 /nfs/dbraw/zinc/53/83/93/1201538393.db2.gz KMQIIWZNQGVOQR-ILXRZTDVSA-N 1 1 371.445 0.364 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)n2cccn2)n[nH]1 ZINC001130184861 1201538396 /nfs/dbraw/zinc/53/83/96/1201538396.db2.gz KMQIIWZNQGVOQR-ILXRZTDVSA-N 1 1 371.445 0.364 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130209518 1201543512 /nfs/dbraw/zinc/54/35/12/1201543512.db2.gz FBCLTPLNSHAGKZ-SUNYJGFJSA-N 1 1 365.478 0.866 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130209518 1201543515 /nfs/dbraw/zinc/54/35/15/1201543515.db2.gz FBCLTPLNSHAGKZ-SUNYJGFJSA-N 1 1 365.478 0.866 20 30 FCEDMO C#CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)CCC1 ZINC001130216339 1201546985 /nfs/dbraw/zinc/54/69/85/1201546985.db2.gz UFTGSMJLHDLBRH-KBPBESRZSA-N 1 1 361.446 0.069 20 30 FCEDMO C#CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)CCC1 ZINC001130216339 1201546990 /nfs/dbraw/zinc/54/69/90/1201546990.db2.gz UFTGSMJLHDLBRH-KBPBESRZSA-N 1 1 361.446 0.069 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ncn2)n1 ZINC001130200761 1201548393 /nfs/dbraw/zinc/54/83/93/1201548393.db2.gz VYJMUSIZASPRPY-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)ncn2)n[nH]1 ZINC001130200761 1201548401 /nfs/dbraw/zinc/54/84/01/1201548401.db2.gz VYJMUSIZASPRPY-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2)n1 ZINC001130202932 1201549589 /nfs/dbraw/zinc/54/95/89/1201549589.db2.gz OITITPVSQQCGIS-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2)n[nH]1 ZINC001130202932 1201549592 /nfs/dbraw/zinc/54/95/92/1201549592.db2.gz OITITPVSQQCGIS-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]1 ZINC001130239887 1201549806 /nfs/dbraw/zinc/54/98/06/1201549806.db2.gz BORDNJLBECXKDH-LEOABGAYSA-N 1 1 373.457 0.474 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(F)F)[nH]1 ZINC001130221156 1201550365 /nfs/dbraw/zinc/55/03/65/1201550365.db2.gz XJXSCLWSJTWEDO-XQQFMLRXSA-N 1 1 367.400 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2nc(C)cc2C)[nH]1 ZINC001130222963 1201551948 /nfs/dbraw/zinc/55/19/48/1201551948.db2.gz JWFISTPTGNDUOZ-GJZGRUSLSA-N 1 1 371.445 0.030 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2cccnc2)[nH]1 ZINC001130222793 1201552246 /nfs/dbraw/zinc/55/22/46/1201552246.db2.gz GIZVWZMRXLHVIN-HOTGVXAUSA-N 1 1 368.441 0.544 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(COC)CC2)n1 ZINC001130222710 1201552549 /nfs/dbraw/zinc/55/25/49/1201552549.db2.gz AYJSLIKYBDTIIP-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(COC)CC2)n[nH]1 ZINC001130222710 1201552553 /nfs/dbraw/zinc/55/25/53/1201552553.db2.gz AYJSLIKYBDTIIP-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2ccnc2)[nH]1 ZINC001130225216 1201554149 /nfs/dbraw/zinc/55/41/49/1201554149.db2.gz XRRJIVVZSLNVCI-GJZGRUSLSA-N 1 1 371.445 0.193 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(COC)CCC2)n1 ZINC001130224977 1201554288 /nfs/dbraw/zinc/55/42/88/1201554288.db2.gz LHEYWUCSQDUHQH-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(COC)CCC2)n[nH]1 ZINC001130224977 1201554292 /nfs/dbraw/zinc/55/42/92/1201554292.db2.gz LHEYWUCSQDUHQH-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001130230188 1201556988 /nfs/dbraw/zinc/55/69/88/1201556988.db2.gz QJEHYVGYQKEYCE-JHZZJYKESA-N 1 1 361.446 0.352 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n[nH]1 ZINC001130230188 1201556993 /nfs/dbraw/zinc/55/69/93/1201556993.db2.gz QJEHYVGYQKEYCE-JHZZJYKESA-N 1 1 361.446 0.352 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)c2cncnc2)n1 ZINC001130235080 1201559173 /nfs/dbraw/zinc/55/91/73/1201559173.db2.gz SXOAOEWNCMAEMM-SNPRPXQTSA-N 1 1 371.445 0.663 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)c2cncnc2)n[nH]1 ZINC001130235080 1201559178 /nfs/dbraw/zinc/55/91/78/1201559178.db2.gz SXOAOEWNCMAEMM-SNPRPXQTSA-N 1 1 371.445 0.663 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ocnc2CC)n1 ZINC001130235157 1201559648 /nfs/dbraw/zinc/55/96/48/1201559648.db2.gz VUAPVFXUPZMUNX-AAEUAGOBSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ocnc2CC)n[nH]1 ZINC001130235157 1201559651 /nfs/dbraw/zinc/55/96/51/1201559651.db2.gz VUAPVFXUPZMUNX-AAEUAGOBSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2)n1 ZINC001130240675 1201561348 /nfs/dbraw/zinc/56/13/48/1201561348.db2.gz YMWWQJUGCVCYSL-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2)n[nH]1 ZINC001130240675 1201561352 /nfs/dbraw/zinc/56/13/52/1201561352.db2.gz YMWWQJUGCVCYSL-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)CCC1 ZINC001130240624 1201561439 /nfs/dbraw/zinc/56/14/39/1201561439.db2.gz WNEKMIMXVWNKHA-KBPBESRZSA-N 1 1 363.462 0.622 20 30 FCEDMO C=CCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)CCC1 ZINC001130240624 1201561443 /nfs/dbraw/zinc/56/14/43/1201561443.db2.gz WNEKMIMXVWNKHA-KBPBESRZSA-N 1 1 363.462 0.622 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnn2)n1 ZINC001130242400 1201562885 /nfs/dbraw/zinc/56/28/85/1201562885.db2.gz VHJONYHYXUNGEI-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnn2)n[nH]1 ZINC001130242400 1201562888 /nfs/dbraw/zinc/56/28/88/1201562888.db2.gz VHJONYHYXUNGEI-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)nc2C)[nH]1 ZINC001130244348 1201563764 /nfs/dbraw/zinc/56/37/64/1201563764.db2.gz HUCYYFLFEWBKOM-ZFWWWQNUSA-N 1 1 369.429 0.237 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)nc2C)n[nH]1 ZINC001130244348 1201563767 /nfs/dbraw/zinc/56/37/67/1201563767.db2.gz HUCYYFLFEWBKOM-ZFWWWQNUSA-N 1 1 369.429 0.237 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)n[nH]c2C)[nH]1 ZINC001130244647 1201565502 /nfs/dbraw/zinc/56/55/02/1201565502.db2.gz MRJXQDDPEMWRPE-STQMWFEESA-N 1 1 357.418 0.170 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CCOC)[nH]1 ZINC001130246420 1201566342 /nfs/dbraw/zinc/56/63/42/1201566342.db2.gz KRUNZTKWPXGORC-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)COC)n1 ZINC001130246650 1201566640 /nfs/dbraw/zinc/56/66/40/1201566640.db2.gz LLIPUOZCJOKMFO-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)COC)n[nH]1 ZINC001130246650 1201566645 /nfs/dbraw/zinc/56/66/45/1201566645.db2.gz LLIPUOZCJOKMFO-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130251498 1201569931 /nfs/dbraw/zinc/56/99/31/1201569931.db2.gz XXORCLKOLVXCGG-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130251498 1201569933 /nfs/dbraw/zinc/56/99/33/1201569933.db2.gz XXORCLKOLVXCGG-RDBSUJKOSA-N 1 1 367.450 0.121 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCOC)[nH]1 ZINC001130251442 1201570455 /nfs/dbraw/zinc/57/04/55/1201570455.db2.gz UWRAKMGGISITNU-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nonc2C)n1 ZINC001130253915 1201571260 /nfs/dbraw/zinc/57/12/60/1201571260.db2.gz WCLRSMKZQFUZEH-RYUDHWBXSA-N 1 1 361.406 0.464 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nonc2C)n[nH]1 ZINC001130253915 1201571264 /nfs/dbraw/zinc/57/12/64/1201571264.db2.gz WCLRSMKZQFUZEH-RYUDHWBXSA-N 1 1 361.406 0.464 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130405989 1201589327 /nfs/dbraw/zinc/58/93/27/1201589327.db2.gz UELKXGXGLSZTFU-ZXYWRSMDSA-N 1 1 370.457 0.645 20 30 FCEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130405989 1201589330 /nfs/dbraw/zinc/58/93/30/1201589330.db2.gz UELKXGXGLSZTFU-ZXYWRSMDSA-N 1 1 370.457 0.645 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001219932300 1224687848 /nfs/dbraw/zinc/68/78/48/1224687848.db2.gz DKPXQVMYGSPURL-WBVHZDCISA-N 1 1 357.414 0.245 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001219932300 1224687851 /nfs/dbraw/zinc/68/78/51/1224687851.db2.gz DKPXQVMYGSPURL-WBVHZDCISA-N 1 1 357.414 0.245 20 30 FCEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC001219953128 1224697181 /nfs/dbraw/zinc/69/71/81/1224697181.db2.gz CVHGADDFDDLALG-UAGQMJEPSA-N 1 1 364.490 0.891 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001219953128 1224697185 /nfs/dbraw/zinc/69/71/85/1224697185.db2.gz CVHGADDFDDLALG-UAGQMJEPSA-N 1 1 364.490 0.891 20 30 FCEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001219953128 1224697188 /nfs/dbraw/zinc/69/71/88/1224697188.db2.gz CVHGADDFDDLALG-UAGQMJEPSA-N 1 1 364.490 0.891 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ccn2)[C@@H](O)C1 ZINC001219959759 1224701383 /nfs/dbraw/zinc/70/13/83/1224701383.db2.gz KSMAXIOAXAARAE-MSOLQXFVSA-N 1 1 360.458 0.659 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ccn2)[C@@H](O)C1 ZINC001219959759 1224701387 /nfs/dbraw/zinc/70/13/87/1224701387.db2.gz KSMAXIOAXAARAE-MSOLQXFVSA-N 1 1 360.458 0.659 20 30 FCEDMO Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001220053390 1224738813 /nfs/dbraw/zinc/73/88/13/1224738813.db2.gz JSSCUWROZQPBAM-SJORKVTESA-N 1 1 353.426 0.586 20 30 FCEDMO Cn1ccnc1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001220053390 1224738815 /nfs/dbraw/zinc/73/88/15/1224738815.db2.gz JSSCUWROZQPBAM-SJORKVTESA-N 1 1 353.426 0.586 20 30 FCEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130602915 1202732610 /nfs/dbraw/zinc/73/26/10/1202732610.db2.gz UVSPQMMIIHBBNJ-GOEBONIOSA-N 1 1 357.462 0.989 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]n3)n[nH]2)O1 ZINC001130753154 1202776335 /nfs/dbraw/zinc/77/63/35/1202776335.db2.gz UDEKPZQZFPVHDL-CMPLNLGQSA-N 1 1 359.390 0.226 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[n+]([O-])cc3)n[nH]2)O1 ZINC001130752821 1202776702 /nfs/dbraw/zinc/77/67/02/1202776702.db2.gz CESYGMOPEUFALS-LSDHHAIUSA-N 1 1 370.413 0.201 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccn3)n[nH]2)O1 ZINC001130761606 1202778144 /nfs/dbraw/zinc/77/81/44/1202778144.db2.gz CPCAOEBYMZKMLL-QLFBSQMISA-N 1 1 371.445 0.712 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CN3CCCC3=O)n[nH]2)O1 ZINC001130756669 1202779627 /nfs/dbraw/zinc/77/96/27/1202779627.db2.gz UHMCBUJKFPKEIH-QWHCGFSZSA-N 1 1 362.434 0.039 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H]3CCCO3)n[nH]2)O1 ZINC001130757919 1202780200 /nfs/dbraw/zinc/78/02/00/1202780200.db2.gz LSUOIRPBPVOLQZ-SOUVJXGZSA-N 1 1 361.446 0.823 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3COCCO3)n[nH]2)O1 ZINC001130757611 1202780241 /nfs/dbraw/zinc/78/02/41/1202780241.db2.gz BREKOXUNOJNTFF-MJBXVCDLSA-N 1 1 365.434 0.222 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3C)n[nH]2)O1 ZINC001130759775 1202782003 /nfs/dbraw/zinc/78/20/03/1202782003.db2.gz KPJKJLKHOWCDJQ-GXTWGEPZSA-N 1 1 359.434 0.772 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n[nH]3)n[nH]2)O1 ZINC001130759934 1202782353 /nfs/dbraw/zinc/78/23/53/1202782353.db2.gz RXGNEHAXAWAILT-GXTWGEPZSA-N 1 1 357.418 0.599 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCCO3)n[nH]2)O1 ZINC001130775224 1202782731 /nfs/dbraw/zinc/78/27/31/1202782731.db2.gz PQTGIEQGXNRVMZ-ZNMIVQPWSA-N 1 1 361.446 0.823 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@](C)(O)C3CC3)n[nH]2)O1 ZINC001130775369 1202783921 /nfs/dbraw/zinc/78/39/21/1202783921.db2.gz SNCDZNXCEWQLFR-IYOUNJFTSA-N 1 1 363.462 0.968 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCOC3)n[nH]2)O1 ZINC001130764974 1202783931 /nfs/dbraw/zinc/78/39/31/1202783931.db2.gz AUNXJTNSHOAFIX-QLFBSQMISA-N 1 1 361.446 0.681 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(C)c3)n[nH]2)O1 ZINC001130769984 1202786514 /nfs/dbraw/zinc/78/65/14/1202786514.db2.gz STLLKXZCWBMCCS-LSDHHAIUSA-N 1 1 371.445 0.230 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC=C)O2)n1 ZINC001130785209 1202788525 /nfs/dbraw/zinc/78/85/25/1202788525.db2.gz FWGLJJARYHDIRT-SOUVJXGZSA-N 1 1 361.446 0.845 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccnn3C)n[nH]2)O1 ZINC001130785456 1202789644 /nfs/dbraw/zinc/78/96/44/1202789644.db2.gz OJMDFWOIFZBYGY-LSDHHAIUSA-N 1 1 371.445 0.230 20 30 FCEDMO C=CCOCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130777274 1202791010 /nfs/dbraw/zinc/79/10/10/1202791010.db2.gz ZXMMBHDGQXNJRH-UONOGXRCSA-N 1 1 367.450 0.206 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnc(C)c3)n[nH]2)O1 ZINC001130776974 1202791105 /nfs/dbraw/zinc/79/11/05/1202791105.db2.gz PCYLNTDEENSNQT-LSDHHAIUSA-N 1 1 369.429 0.666 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nn3)n[nH]2)O1 ZINC001130778273 1202791467 /nfs/dbraw/zinc/79/14/67/1202791467.db2.gz OMBZJUVQNSMWFJ-WCQYABFASA-N 1 1 360.422 0.249 20 30 FCEDMO CC(C)(C)C#CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130780939 1202792175 /nfs/dbraw/zinc/79/21/75/1202792175.db2.gz GSMQDXBHTPNORQ-UONOGXRCSA-N 1 1 363.462 0.663 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccn3CC)n[nH]2)O1 ZINC001130781118 1202793272 /nfs/dbraw/zinc/79/32/72/1202793272.db2.gz PDLUTXSTASJEOL-UONOGXRCSA-N 1 1 371.445 0.784 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[nH]2)O1 ZINC001130782919 1202793874 /nfs/dbraw/zinc/79/38/74/1202793874.db2.gz FMPARATWDLAYCI-UONOGXRCSA-N 1 1 369.429 0.666 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)ncn3C)n[nH]2)O1 ZINC001130787234 1202797309 /nfs/dbraw/zinc/79/73/09/1202797309.db2.gz GMBJGVGKSYXCII-QWHCGFSZSA-N 1 1 359.434 0.772 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(C)c3C)n[nH]2)O1 ZINC001130790019 1202797678 /nfs/dbraw/zinc/79/76/78/1202797678.db2.gz DBKDSLPWQLBMEP-LSDHHAIUSA-N 1 1 371.445 0.148 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)[n-]2)O1 ZINC001130790035 1202797736 /nfs/dbraw/zinc/79/77/36/1202797736.db2.gz DWUHWYPPSPTODD-SOUVJXGZSA-N 1 1 362.478 0.901 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc4n(n3)CCC4)n[nH]2)O1 ZINC001130790135 1202798451 /nfs/dbraw/zinc/79/84/51/1202798451.db2.gz JMKAJNIFPNZSJC-DZGCQCFKSA-N 1 1 369.429 0.320 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(F)CCOCC3)n[nH]2)O1 ZINC001130790266 1202798906 /nfs/dbraw/zinc/79/89/06/1202798906.db2.gz PUJSRJXJWUTWDB-QWHCGFSZSA-N 1 1 365.409 0.383 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C(C)C)n[nH]2)O1 ZINC001130804338 1202800522 /nfs/dbraw/zinc/80/05/22/1202800522.db2.gz DNLXTTBQJLURIZ-SQWLQELKSA-N 1 1 363.462 0.925 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[C@@H](C)O3)n[nH]2)O1 ZINC001130804762 1202800669 /nfs/dbraw/zinc/80/06/69/1202800669.db2.gz NZDCKUMRTNYIEA-LXTVHRRPSA-N 1 1 361.446 0.821 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3C)n[nH]2)O1 ZINC001130809014 1202801550 /nfs/dbraw/zinc/80/15/50/1202801550.db2.gz BZXWACNJIUKXTD-JKSUJKDBSA-N 1 1 368.441 0.810 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(OC)n3)n[nH]2)O1 ZINC001130815887 1202806875 /nfs/dbraw/zinc/80/68/75/1202806875.db2.gz FCKUEEFKRHQZNJ-GXTWGEPZSA-N 1 1 370.413 0.581 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC(N)=O)n[nH]2)O1 ZINC001130819879 1202809200 /nfs/dbraw/zinc/80/92/00/1202809200.db2.gz JAEYMXHTHUBBOY-QWHCGFSZSA-N 1 1 364.450 0.462 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nonc3C)n[nH]2)O1 ZINC001130820021 1202809208 /nfs/dbraw/zinc/80/92/08/1202809208.db2.gz KTLUEASEOSFVMQ-NWDGAFQWSA-N 1 1 361.406 0.812 20 30 FCEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cncn1C ZINC001130991612 1202838209 /nfs/dbraw/zinc/83/82/09/1202838209.db2.gz UCCBNMPZFNAVNV-HZPDHXFCSA-N 1 1 369.473 0.775 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130991543 1202838238 /nfs/dbraw/zinc/83/82/38/1202838238.db2.gz QIXHXLUTVURNFM-IAGOWNOFSA-N 1 1 354.458 0.897 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001131060167 1202853987 /nfs/dbraw/zinc/85/39/87/1202853987.db2.gz XHUYFEVJLYFGKF-HZPDHXFCSA-N 1 1 357.462 0.989 20 30 FCEDMO CO[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)c1cnn(C)c1 ZINC001220081594 1224750929 /nfs/dbraw/zinc/75/09/29/1224750929.db2.gz CZBDYQTZTABYFZ-SQNIBIBYSA-N 1 1 369.425 0.341 20 30 FCEDMO CO[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)c1cnn(C)c1 ZINC001220081594 1224750931 /nfs/dbraw/zinc/75/09/31/1224750931.db2.gz CZBDYQTZTABYFZ-SQNIBIBYSA-N 1 1 369.425 0.341 20 30 FCEDMO 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C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001070199310 1219288325 /nfs/dbraw/zinc/28/83/25/1219288325.db2.gz REHKTQZQOIRDJX-IKGGRYGDSA-N 1 1 370.461 0.609 20 30 FCEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccn2)C[C@@H]1n1ccnn1 ZINC001070206745 1219293268 /nfs/dbraw/zinc/29/32/68/1219293268.db2.gz RDIGWKBAKOQFPN-CVEARBPZSA-N 1 1 364.413 0.905 20 30 FCEDMO N#CCN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070208891 1219294136 /nfs/dbraw/zinc/29/41/36/1219294136.db2.gz CAHWGEJLLFMMRB-ZACQAIPSSA-N 1 1 357.462 0.550 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070209099 1219294893 /nfs/dbraw/zinc/29/48/93/1219294893.db2.gz MDBRRWBPYXRTSV-SQNIBIBYSA-N 1 1 356.474 0.660 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070209099 1219294897 /nfs/dbraw/zinc/29/48/97/1219294897.db2.gz MDBRRWBPYXRTSV-SQNIBIBYSA-N 1 1 356.474 0.660 20 30 FCEDMO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@@H]1n1ccnn1 ZINC001070224065 1219304627 /nfs/dbraw/zinc/30/46/27/1219304627.db2.gz LISJYPWMEQDIJN-SJORKVTESA-N 1 1 364.409 0.961 20 30 FCEDMO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H]1n1ccnn1 ZINC001070308463 1219366098 /nfs/dbraw/zinc/36/60/98/1219366098.db2.gz UTLUXGZLTVBCEE-XKQJLSEDSA-N 1 1 355.446 0.724 20 30 FCEDMO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001070354272 1219391572 /nfs/dbraw/zinc/39/15/72/1219391572.db2.gz AJTJMVJSHSUXIM-JSGCOSHPSA-N 1 1 357.418 0.805 20 30 FCEDMO CC(C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001070354272 1219391574 /nfs/dbraw/zinc/39/15/74/1219391574.db2.gz AJTJMVJSHSUXIM-JSGCOSHPSA-N 1 1 357.418 0.805 20 30 FCEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(CC#N)CC2)CC[N@H+]1C ZINC001070371813 1219401770 /nfs/dbraw/zinc/40/17/70/1219401770.db2.gz LPLCIARFCVETCH-IIVZCXTMSA-N 1 1 361.490 0.326 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001070372750 1219402275 /nfs/dbraw/zinc/40/22/75/1219402275.db2.gz FDWKCSYDETVHKY-AOIWGVFYSA-N 1 1 371.485 0.083 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001070372750 1219402279 /nfs/dbraw/zinc/40/22/79/1219402279.db2.gz FDWKCSYDETVHKY-AOIWGVFYSA-N 1 1 371.485 0.083 20 30 FCEDMO C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2nnc[nH]2)CC1 ZINC001070381624 1219406608 /nfs/dbraw/zinc/40/66/08/1219406608.db2.gz LNDMKVGWOGBRSX-KDOFPFPSSA-N 1 1 360.462 0.399 20 30 FCEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070381651 1219407187 /nfs/dbraw/zinc/40/71/87/1219407187.db2.gz NDGQUSQICOWGRB-VPWXQRGCSA-N 1 1 360.502 0.437 20 30 FCEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070381651 1219407190 /nfs/dbraw/zinc/40/71/90/1219407190.db2.gz NDGQUSQICOWGRB-VPWXQRGCSA-N 1 1 360.502 0.437 20 30 FCEDMO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001070425913 1219411065 /nfs/dbraw/zinc/41/10/65/1219411065.db2.gz JOHHPDDJBGPQRQ-NUEKZKHPSA-N 1 1 352.442 0.986 20 30 FCEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)nn1 ZINC001070476781 1219427883 /nfs/dbraw/zinc/42/78/83/1219427883.db2.gz YSORDGWSPLDDPA-DUVNUKRYSA-N 1 1 356.434 0.275 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cn(C)cn1 ZINC001070504311 1219443113 /nfs/dbraw/zinc/44/31/13/1219443113.db2.gz PBKBCZIZDOPPCQ-FUHWJXTLSA-N 1 1 355.486 0.813 20 30 FCEDMO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070563689 1219470892 /nfs/dbraw/zinc/47/08/92/1219470892.db2.gz GWULYNLBEPZGMK-XYJFISCASA-N 1 1 361.490 0.458 20 30 FCEDMO C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070585385 1219477619 /nfs/dbraw/zinc/47/76/19/1219477619.db2.gz ZDXBLKSQKFXAHN-KFWWJZLASA-N 1 1 362.478 0.711 20 30 FCEDMO 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CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3COCCN3CC#N)n2)CC[N@@H+]1C ZINC001070586722 1219479159 /nfs/dbraw/zinc/47/91/59/1219479159.db2.gz PIGNDTCHLGHLNH-BFHYXJOUSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3COCCN3CC#N)n2)CC[N@H+]1C ZINC001070586722 1219479173 /nfs/dbraw/zinc/47/91/73/1219479173.db2.gz PIGNDTCHLGHLNH-BFHYXJOUSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@H]3COCCN3CC#N)[nH]2)CC[N@@H+]1C ZINC001070586722 1219479176 /nfs/dbraw/zinc/47/91/76/1219479176.db2.gz PIGNDTCHLGHLNH-BFHYXJOUSA-N 1 1 361.450 0.048 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@H]3COCCN3CC#N)[nH]2)CC[N@H+]1C ZINC001070586722 1219479182 /nfs/dbraw/zinc/47/91/82/1219479182.db2.gz PIGNDTCHLGHLNH-BFHYXJOUSA-N 1 1 361.450 0.048 20 30 FCEDMO CC(C)n1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)nn1 ZINC001070630078 1219495260 /nfs/dbraw/zinc/49/52/60/1219495260.db2.gz BQOQJNLNIQYBAE-FVQBIDKESA-N 1 1 370.461 0.836 20 30 FCEDMO 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C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)OCc3c[nH]nn3)C[C@]2(C)C1 ZINC001575110301 1271724219 /nfs/dbraw/zinc/72/42/19/1271724219.db2.gz MTZYBNRTDHBEPO-DAYGRLMNSA-N 1 1 363.462 0.693 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)OCc3c[nH]nn3)C[C@]2(C)C1 ZINC001575110301 1271724224 /nfs/dbraw/zinc/72/42/24/1271724224.db2.gz MTZYBNRTDHBEPO-DAYGRLMNSA-N 1 1 363.462 0.693 20 30 FCEDMO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2cn[nH]n2)C1 ZINC001575117593 1271732962 /nfs/dbraw/zinc/73/29/62/1271732962.db2.gz OZUGJKYDLBOTBL-ZBFHGGJFSA-N 1 1 360.462 0.536 20 30 FCEDMO C[C@H](C(=O)NCc1cn[nH]n1)[N@@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221125 1271805762 /nfs/dbraw/zinc/80/57/62/1271805762.db2.gz SFROLFPKJVMLQX-ZIAGYGMSSA-N 1 1 360.462 0.297 20 30 FCEDMO C[C@H](C(=O)NCc1cn[nH]n1)[N@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221125 1271805775 /nfs/dbraw/zinc/80/57/75/1271805775.db2.gz SFROLFPKJVMLQX-ZIAGYGMSSA-N 1 1 360.462 0.297 20 30 FCEDMO C[C@@H](OCc1c[nH]nn1)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001575720523 1272372004 /nfs/dbraw/zinc/37/20/04/1272372004.db2.gz UJJXUWNTBDGRDU-DYVFJYSZSA-N 1 1 372.429 0.191 20 30 FCEDMO COCC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCCc2cn[nH]n2)CCO1 ZINC001576952362 1273971331 /nfs/dbraw/zinc/97/13/31/1273971331.db2.gz HVTSFXMDTFSQEJ-DOTOQJQBSA-N 1 1 363.462 0.373 20 30 FCEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3cn[nH]n3)nc2)C1 ZINC001576953127 1273972786 /nfs/dbraw/zinc/97/27/86/1273972786.db2.gz MCSKXYZWEABSIQ-OAHLLOKOSA-N 1 1 368.441 0.910 20 30 FCEDMO COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001576953127 1273972796 /nfs/dbraw/zinc/97/27/96/1273972796.db2.gz MCSKXYZWEABSIQ-OAHLLOKOSA-N 1 1 368.441 0.910 20 30 FCEDMO COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)nc2)C1 ZINC001576953127 1273972804 /nfs/dbraw/zinc/97/28/04/1273972804.db2.gz MCSKXYZWEABSIQ-OAHLLOKOSA-N 1 1 368.441 0.910 20 30 FCEDMO COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C1CCN(Cc2cn[nH]n2)CC1 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ZINC001112213786 846469965 /nfs/dbraw/zinc/46/99/65/846469965.db2.gz AKFUGIJZFIQKFH-GHMZBOCLSA-N 1 1 354.394 0.669 20 30 FCEDMO C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001112215575 846471688 /nfs/dbraw/zinc/47/16/88/846471688.db2.gz HPTMJTQHDJQSDE-CHWSQXEVSA-N 1 1 361.368 0.887 20 30 FCEDMO C[S@](=O)c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC001116209357 846628946 /nfs/dbraw/zinc/62/89/46/846628946.db2.gz MBEFYFCDKCQFEH-DEOSSOPVSA-N 1 1 368.528 0.944 20 30 FCEDMO C#CCSCCNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001117461151 847030111 /nfs/dbraw/zinc/03/01/11/847030111.db2.gz BXUHZLSTTWGPSF-UHFFFAOYSA-N 1 1 355.504 0.286 20 30 FCEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2CCC(C#N)CC2)CC1 ZINC001117729890 847160151 /nfs/dbraw/zinc/16/01/51/847160151.db2.gz VNOZVZYFYHDNFR-UHFFFAOYSA-N 1 1 350.463 0.348 20 30 FCEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC001118212383 847325796 /nfs/dbraw/zinc/32/57/96/847325796.db2.gz QBPSVHOGNMGZCL-RDTXWAMCSA-N 1 1 350.463 0.490 20 30 FCEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC001118212380 847326193 /nfs/dbraw/zinc/32/61/93/847326193.db2.gz QBPSVHOGNMGZCL-KBXCAEBGSA-N 1 1 350.463 0.490 20 30 FCEDMO C=C(C)Cn1c([C@@H](O)COC)nnc1N1CC[NH+](CCOCC)CC1 ZINC001122480130 848514162 /nfs/dbraw/zinc/51/41/62/848514162.db2.gz ZTHAURCWNAEVLJ-HNNXBMFYSA-N 1 1 353.467 0.693 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+](CCOC)CC2)nnc1[C@@](C)(O)COC ZINC001122525768 848517104 /nfs/dbraw/zinc/51/71/04/848517104.db2.gz ZYHPSFSAPBOPPG-KRWDZBQOSA-N 1 1 353.467 0.477 20 30 FCEDMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Nc2snc(Cl)c2C#N)CC[N@H+]1C ZINC001122753161 848536470 /nfs/dbraw/zinc/53/64/70/848536470.db2.gz WUIVDZWKJXXOKF-KXUCPTDWSA-N 1 1 357.867 0.897 20 30 FCEDMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2snc(Cl)c2C#N)CC[N@H+]1C ZINC001122753162 848536825 /nfs/dbraw/zinc/53/68/25/848536825.db2.gz WUIVDZWKJXXOKF-OPRDCNLKSA-N 1 1 357.867 0.897 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H](n2ccnn2)C1 ZINC001128882993 848781604 /nfs/dbraw/zinc/78/16/04/848781604.db2.gz GDOPVRWFNGVPQB-KGLIPLIRSA-N 1 1 355.389 0.868 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129188806 848815438 /nfs/dbraw/zinc/81/54/38/848815438.db2.gz BMUXXYFXUHMAQQ-OAGGEKHMSA-N 1 1 351.451 0.231 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@@H]1n1ccnn1 ZINC001129188806 848815444 /nfs/dbraw/zinc/81/54/44/848815444.db2.gz BMUXXYFXUHMAQQ-OAGGEKHMSA-N 1 1 351.451 0.231 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1 ZINC001129396561 848839127 /nfs/dbraw/zinc/83/91/27/848839127.db2.gz FXYAQYDBEUDMOE-NEPJUHHUSA-N 1 1 366.809 0.777 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)no2)[C@@H](n2ccnn2)C1 ZINC001129396561 848839132 /nfs/dbraw/zinc/83/91/32/848839132.db2.gz FXYAQYDBEUDMOE-NEPJUHHUSA-N 1 1 366.809 0.777 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001129482488 848852520 /nfs/dbraw/zinc/85/25/20/848852520.db2.gz XIZVKZNZPZXVDB-XHSDSOJGSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)CCC)C[C@@H]1n1ccnn1 ZINC001129647227 848875035 /nfs/dbraw/zinc/87/50/35/848875035.db2.gz QSNJPBQAHYXVAJ-OLZOCXBDSA-N 1 1 354.842 0.288 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001130020564 848932182 /nfs/dbraw/zinc/93/21/82/848932182.db2.gz MHNCASANTQKUNH-MCIONIFRSA-N 1 1 354.842 0.287 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnns2)n1 ZINC001130187853 848967004 /nfs/dbraw/zinc/96/70/04/848967004.db2.gz NBQLXMPWFZILAY-QWRGUYRKSA-N 1 1 363.447 0.624 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnns2)n[nH]1 ZINC001130187853 848967011 /nfs/dbraw/zinc/96/70/11/848967011.db2.gz NBQLXMPWFZILAY-QWRGUYRKSA-N 1 1 363.447 0.624 20 30 FCEDMO C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n[nH]1 ZINC001130202550 848973323 /nfs/dbraw/zinc/97/33/23/848973323.db2.gz BTFSLARYBHOSFJ-VXJKCKECSA-N 1 1 352.826 0.795 20 30 FCEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C/C=C\Cl)n1 ZINC001130202550 848973328 /nfs/dbraw/zinc/97/33/28/848973328.db2.gz BTFSLARYBHOSFJ-VXJKCKECSA-N 1 1 352.826 0.795 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 ZINC001130207497 848974477 /nfs/dbraw/zinc/97/44/77/848974477.db2.gz DBGZBBFJMJJGKZ-KCQAQPDRSA-N 1 1 351.451 0.476 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](O)C(C)C)n[nH]1 ZINC001130207497 848974478 /nfs/dbraw/zinc/97/44/78/848974478.db2.gz DBGZBBFJMJJGKZ-KCQAQPDRSA-N 1 1 351.451 0.476 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)COC)n1 ZINC001130202926 848975254 /nfs/dbraw/zinc/97/52/54/848975254.db2.gz OAKZIRNNSPAXMU-RDBSUJKOSA-N 1 1 351.451 0.742 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)COC)n[nH]1 ZINC001130202926 848975257 /nfs/dbraw/zinc/97/52/57/848975257.db2.gz OAKZIRNNSPAXMU-RDBSUJKOSA-N 1 1 351.451 0.742 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)O)n1 ZINC001130209696 848975782 /nfs/dbraw/zinc/97/57/82/848975782.db2.gz KZRLHYMFMLIDMA-STQMWFEESA-N 1 1 351.451 0.620 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(C)O)n[nH]1 ZINC001130209696 848975786 /nfs/dbraw/zinc/97/57/86/848975786.db2.gz KZRLHYMFMLIDMA-STQMWFEESA-N 1 1 351.451 0.620 20 30 FCEDMO C=CC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130227657 848980243 /nfs/dbraw/zinc/98/02/43/848980243.db2.gz JDMQSTNBWYBUTK-AVGNSLFASA-N 1 1 351.451 0.476 20 30 FCEDMO C=CC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130227657 848980250 /nfs/dbraw/zinc/98/02/50/848980250.db2.gz JDMQSTNBWYBUTK-AVGNSLFASA-N 1 1 351.451 0.476 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2csnn2)[nH]1 ZINC001130224874 848980895 /nfs/dbraw/zinc/98/08/95/848980895.db2.gz GOAOHEXNZUFUCB-JQWIXIFHSA-N 1 1 361.431 0.072 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)C(C)C)n1 ZINC001130227957 848981750 /nfs/dbraw/zinc/98/17/50/848981750.db2.gz XIQCWVGQMCLKLZ-YDHLFZDLSA-N 1 1 351.426 0.900 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)C(C)C)n[nH]1 ZINC001130227957 848981754 /nfs/dbraw/zinc/98/17/54/848981754.db2.gz XIQCWVGQMCLKLZ-YDHLFZDLSA-N 1 1 351.426 0.900 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)COC)n1 ZINC001130247043 848987719 /nfs/dbraw/zinc/98/77/19/848987719.db2.gz RLPPEWPJVZIJHT-RDBSUJKOSA-N 1 1 351.451 0.742 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)COC)n[nH]1 ZINC001130247043 848987728 /nfs/dbraw/zinc/98/77/28/848987728.db2.gz RLPPEWPJVZIJHT-RDBSUJKOSA-N 1 1 351.451 0.742 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1c1cn(C)cn1 ZINC001130680585 849026464 /nfs/dbraw/zinc/02/64/64/849026464.db2.gz YBBOJPVWKMTSMN-OFQRWUPVSA-N 1 1 367.881 0.971 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3scnc3C)n[nH]2)O1 ZINC001130765213 849037508 /nfs/dbraw/zinc/03/75/08/849037508.db2.gz HNCUDKLZBKVAMV-NWDGAFQWSA-N 1 1 360.443 0.943 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3csc(C)n3)n[nH]2)O1 ZINC001130802336 849046583 /nfs/dbraw/zinc/04/65/83/849046583.db2.gz PCJWAOIDNQNLHG-WCQYABFASA-N 1 1 360.443 0.943 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1c1cncn1C ZINC001131121462 849081307 /nfs/dbraw/zinc/08/13/07/849081307.db2.gz UPGYKKVTGZPOPO-VXGBXAGGSA-N 1 1 354.842 0.115 20 30 FCEDMO C=CCC(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@@H+](CCO)C[C@H]32)C1 ZINC001131313443 849095073 /nfs/dbraw/zinc/09/50/73/849095073.db2.gz RRPTWWMWKFKRQL-ZNMIVQPWSA-N 1 1 351.447 0.687 20 30 FCEDMO C=CCC(C)(C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[N@H+](CCO)C[C@H]32)C1 ZINC001131313443 849095082 /nfs/dbraw/zinc/09/50/82/849095082.db2.gz RRPTWWMWKFKRQL-ZNMIVQPWSA-N 1 1 351.447 0.687 20 30 FCEDMO C=CCN1C(=O)COCC12C[NH+](C[C@H](O)COCC(F)(F)C(F)F)C2 ZINC001277710800 862019391 /nfs/dbraw/zinc/01/93/91/862019391.db2.gz DEWLSNNAXOPNCH-NSHDSACASA-N 1 1 370.343 0.364 20 30 FCEDMO C#CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CC(=O)C(C)(C)C)C2=O)C1 ZINC001277712462 862023331 /nfs/dbraw/zinc/02/33/31/862023331.db2.gz PXNCDCHFRBZRPF-DNVCBOLYSA-N 1 1 350.459 0.537 20 30 FCEDMO C#CCOC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC=C(C)C)C2)C1 ZINC001277712479 862025248 /nfs/dbraw/zinc/02/52/48/862025248.db2.gz PZASWNQXHZGMRM-HKUYNNGSSA-N 1 1 350.459 0.514 20 30 FCEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H](CS)NC(C)=O)C2 ZINC001144406523 849520239 /nfs/dbraw/zinc/52/02/39/849520239.db2.gz JFYWHYLKUJYHNR-SOLBZPMBSA-N 1 1 369.531 0.628 20 30 FCEDMO C=CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001277775151 862066839 /nfs/dbraw/zinc/06/68/39/862066839.db2.gz LDUQYZUAAHTWAF-DZGCQCFKSA-N 1 1 366.380 0.806 20 30 FCEDMO C=CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CCOCC)C2=O)C1 ZINC001277776555 862069445 /nfs/dbraw/zinc/06/94/45/862069445.db2.gz 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/nfs/dbraw/zinc/32/28/61/1201322861.db2.gz MCLJIXVBBICXKQ-SJORKVTESA-N 1 1 363.462 0.639 20 30 FCEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129481506 1201323810 /nfs/dbraw/zinc/32/38/10/1201323810.db2.gz MHYSVRBQLWDTSG-CVEARBPZSA-N 1 1 362.478 0.892 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129503029 1201328895 /nfs/dbraw/zinc/32/88/95/1201328895.db2.gz JOHGPORLSCCHBJ-ILXRZTDVSA-N 1 1 361.450 0.129 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129490366 1201332834 /nfs/dbraw/zinc/33/28/34/1201332834.db2.gz DCPRRYBZLCUKQI-ZACQAIPSSA-N 1 1 362.478 0.747 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC(C)C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129490366 1201332842 /nfs/dbraw/zinc/33/28/42/1201332842.db2.gz DCPRRYBZLCUKQI-ZACQAIPSSA-N 1 1 362.478 0.747 20 30 FCEDMO C=CCCC(=O)N1C[C@@H]([NH2+]Cc2c(C)nnn2CC)[C@@H](n2ccnn2)C1 ZINC001129667127 1201364689 /nfs/dbraw/zinc/36/46/89/1201364689.db2.gz ORNKSVLYVRITCT-ZBFHGGJFSA-N 1 1 358.450 0.706 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001129681419 1201368821 /nfs/dbraw/zinc/36/88/21/1201368821.db2.gz QYRKOYAMTCVUTA-CVEARBPZSA-N 1 1 360.393 0.557 20 30 FCEDMO COC[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001129681697 1201369742 /nfs/dbraw/zinc/36/97/42/1201369742.db2.gz WHYZCMWWHPTJJN-OLMNPRSZSA-N 1 1 368.441 0.974 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001129982290 1201461953 /nfs/dbraw/zinc/46/19/53/1201461953.db2.gz CTJKRQJDQYANMT-CVEARBPZSA-N 1 1 356.430 0.611 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130125449 1201506537 /nfs/dbraw/zinc/50/65/37/1201506537.db2.gz OOBCZLNMBQVICF-BBWFWOEESA-N 1 1 362.478 0.164 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130125576 1201507072 /nfs/dbraw/zinc/50/70/72/1201507072.db2.gz VDHJJLDLPGLLHS-MSOLQXFVSA-N 1 1 358.490 0.909 20 30 FCEDMO C#C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCCO1 ZINC000805306197 1201512653 /nfs/dbraw/zinc/51/26/53/1201512653.db2.gz SWJRJVCGAXTFOB-SLUKUZTOSA-N 1 1 362.474 0.550 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001130150824 1201516615 /nfs/dbraw/zinc/51/66/15/1201516615.db2.gz BDWKCPYZIHNCIH-MAZHCROVSA-N 1 1 360.418 0.707 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@@H](O)C1 ZINC001219910634 1224678767 /nfs/dbraw/zinc/67/87/67/1224678767.db2.gz MAEOLKZDNCFBTC-CVEARBPZSA-N 1 1 361.446 0.054 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnc(N3CCCC3)n2)[C@@H](O)C1 ZINC001219910634 1224678770 /nfs/dbraw/zinc/67/87/70/1224678770.db2.gz MAEOLKZDNCFBTC-CVEARBPZSA-N 1 1 361.446 0.054 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)nn2C)n1 ZINC001130187918 1201529054 /nfs/dbraw/zinc/52/90/54/1201529054.db2.gz QCWAKTXAOWXMHK-JSGCOSHPSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nn2C)n[nH]1 ZINC001130187918 1201529057 /nfs/dbraw/zinc/52/90/57/1201529057.db2.gz QCWAKTXAOWXMHK-JSGCOSHPSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H]2CCOC2)n[nH]1 ZINC001130193184 1201530029 /nfs/dbraw/zinc/53/00/29/1201530029.db2.gz LURRFBCPBXTDGV-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H]2CCOC2)n1 ZINC001130193184 1201530033 /nfs/dbraw/zinc/53/00/33/1201530033.db2.gz LURRFBCPBXTDGV-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)[nH]2)[nH]1 ZINC001130193405 1201531142 /nfs/dbraw/zinc/53/11/42/1201531142.db2.gz WHANHDAOBDLFML-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[nH]1 ZINC001130196140 1201532651 /nfs/dbraw/zinc/53/26/51/1201532651.db2.gz UFTYTCLVKRQHNY-CEEVZKBLSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c2C)n1 ZINC001130195900 1201533015 /nfs/dbraw/zinc/53/30/15/1201533015.db2.gz IBQRHJYGXCYSSI-GJZGRUSLSA-N 1 1 356.430 0.857 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2C)n[nH]1 ZINC001130195900 1201533019 /nfs/dbraw/zinc/53/30/19/1201533019.db2.gz IBQRHJYGXCYSSI-GJZGRUSLSA-N 1 1 356.430 0.857 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCOC)n1 ZINC001130198414 1201533663 /nfs/dbraw/zinc/53/36/63/1201533663.db2.gz JTMZWJXZHAUQQB-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCOC)n[nH]1 ZINC001130198414 1201533665 /nfs/dbraw/zinc/53/36/65/1201533665.db2.gz JTMZWJXZHAUQQB-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)n2cccn2)n1 ZINC001130184575 1201536780 /nfs/dbraw/zinc/53/67/80/1201536780.db2.gz BDOACKOLXAJUSA-IHRRRGAJSA-N 1 1 359.434 0.527 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)n2cccn2)n[nH]1 ZINC001130184575 1201536782 /nfs/dbraw/zinc/53/67/82/1201536782.db2.gz BDOACKOLXAJUSA-IHRRRGAJSA-N 1 1 359.434 0.527 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2CC)[nH]1 ZINC001130209597 1201542694 /nfs/dbraw/zinc/54/26/94/1201542694.db2.gz GUNOERMQRRHAFA-WFASDCNBSA-N 1 1 357.414 0.985 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccoc2CC)n[nH]1 ZINC001130209597 1201542699 /nfs/dbraw/zinc/54/26/99/1201542699.db2.gz GUNOERMQRRHAFA-WFASDCNBSA-N 1 1 357.414 0.985 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccc(C)n2)n1 ZINC001130209950 1201544544 /nfs/dbraw/zinc/54/45/44/1201544544.db2.gz RPYDJKGZOZTIRO-STQMWFEESA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccc(C)n2)n[nH]1 ZINC001130209950 1201544547 /nfs/dbraw/zinc/54/45/47/1201544547.db2.gz RPYDJKGZOZTIRO-STQMWFEESA-N 1 1 357.418 0.481 20 30 FCEDMO CO[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212888 1201545001 /nfs/dbraw/zinc/54/50/01/1201545001.db2.gz JJXBVAXZMWVPBH-SNPRPXQTSA-N 1 1 361.446 0.331 20 30 FCEDMO CO[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212888 1201545006 /nfs/dbraw/zinc/54/50/06/1201545006.db2.gz JJXBVAXZMWVPBH-SNPRPXQTSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C)CC2)n1 ZINC001130216142 1201546941 /nfs/dbraw/zinc/54/69/41/1201546941.db2.gz NQKVEAAUMIVFBG-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C)CC2)n[nH]1 ZINC001130216142 1201546944 /nfs/dbraw/zinc/54/69/44/1201546944.db2.gz NQKVEAAUMIVFBG-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cnccc2C)[nH]1 ZINC001130216454 1201547980 /nfs/dbraw/zinc/54/79/80/1201547980.db2.gz XSLSASKAZGHHOO-HOTGVXAUSA-N 1 1 368.441 0.462 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCCO2)n1 ZINC001130200906 1201548919 /nfs/dbraw/zinc/54/89/19/1201548919.db2.gz ZSWWLDWUZIRLLA-ZNMIVQPWSA-N 1 1 361.446 0.475 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCCO2)n[nH]1 ZINC001130200906 1201548925 /nfs/dbraw/zinc/54/89/25/1201548925.db2.gz ZSWWLDWUZIRLLA-ZNMIVQPWSA-N 1 1 361.446 0.475 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2)[nH]1 ZINC001130202936 1201549490 /nfs/dbraw/zinc/54/94/90/1201549490.db2.gz OQRNMCHZWMYYBZ-GJZGRUSLSA-N 1 1 356.430 0.559 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@](C)(O)C2CC2)[nH]1 ZINC001130203017 1201549662 /nfs/dbraw/zinc/54/96/62/1201549662.db2.gz PNEOTPKQHVOUMU-SUNYJGFJSA-N 1 1 361.446 0.067 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[nH]1 ZINC001130225091 1201553785 /nfs/dbraw/zinc/55/37/85/1201553785.db2.gz RWVOTQVICWDOSX-WNZSCWOMSA-N 1 1 373.457 0.331 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2=CCOCC2)n1 ZINC001130240116 1201555831 /nfs/dbraw/zinc/55/58/31/1201555831.db2.gz JFBJQCZYSWBYLM-GJZGRUSLSA-N 1 1 361.446 0.806 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2=CCOCC2)n[nH]1 ZINC001130240116 1201555837 /nfs/dbraw/zinc/55/58/37/1201555837.db2.gz JFBJQCZYSWBYLM-GJZGRUSLSA-N 1 1 361.446 0.806 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(F)CCOC2)n1 ZINC001130234644 1201558405 /nfs/dbraw/zinc/55/84/05/1201558405.db2.gz FYNVNSOBLHKUFV-GDZNZVCISA-N 1 1 365.409 0.035 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(F)CCOC2)n[nH]1 ZINC001130234644 1201558407 /nfs/dbraw/zinc/55/84/07/1201558407.db2.gz FYNVNSOBLHKUFV-GDZNZVCISA-N 1 1 365.409 0.035 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2OCC[C@H]2C)n1 ZINC001130237863 1201559908 /nfs/dbraw/zinc/55/99/08/1201559908.db2.gz GZMQBONVEPYALE-HOSILWTGSA-N 1 1 363.462 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2C)n[nH]1 ZINC001130237863 1201559912 /nfs/dbraw/zinc/55/99/12/1201559912.db2.gz GZMQBONVEPYALE-HOSILWTGSA-N 1 1 363.462 0.884 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ccc(C)n2)n1 ZINC001130238208 1201561394 /nfs/dbraw/zinc/56/13/94/1201561394.db2.gz YVKZYJJFYFVJFX-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2ccc(C)n2)n[nH]1 ZINC001130238208 1201561396 /nfs/dbraw/zinc/56/13/96/1201561396.db2.gz YVKZYJJFYFVJFX-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2nccc2C)[nH]1 ZINC001130242148 1201562732 /nfs/dbraw/zinc/56/27/32/1201562732.db2.gz IOUQCHHBQMBQRR-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nc(C)oc2C)n1 ZINC001130244388 1201563901 /nfs/dbraw/zinc/56/39/01/1201563901.db2.gz IBFTXWFVJGKHTD-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nc(C)oc2C)n[nH]1 ZINC001130244388 1201563904 /nfs/dbraw/zinc/56/39/04/1201563904.db2.gz IBFTXWFVJGKHTD-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(C(C)C)c2)[nH]1 ZINC001130245981 1201564884 /nfs/dbraw/zinc/56/48/84/1201564884.db2.gz ANNSHDLARUYAOS-GJZGRUSLSA-N 1 1 371.445 0.607 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(C(C)C)c2)n[nH]1 ZINC001130245981 1201564888 /nfs/dbraw/zinc/56/48/88/1201564888.db2.gz ANNSHDLARUYAOS-GJZGRUSLSA-N 1 1 371.445 0.607 20 30 FCEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001130292844 1201578635 /nfs/dbraw/zinc/57/86/35/1201578635.db2.gz DTMYRAHYMFERCP-WBVHZDCISA-N 1 1 363.506 0.716 20 30 FCEDMO CC#CCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130295739 1201579270 /nfs/dbraw/zinc/57/92/70/1201579270.db2.gz PYJCPMSGVBMGEI-BEFAXECRSA-N 1 1 362.474 0.141 20 30 FCEDMO C[N@@H+](CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1)C1CCC1 ZINC001130293525 1201579587 /nfs/dbraw/zinc/57/95/87/1201579587.db2.gz YKQWSRHKXOVSCR-APWZRJJASA-N 1 1 361.490 0.470 20 30 FCEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130305387 1201581637 /nfs/dbraw/zinc/58/16/37/1201581637.db2.gz XMJVHESPWRJLKL-PBHICJAKSA-N 1 1 364.490 0.549 20 30 FCEDMO C=CC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000805806520 1201586817 /nfs/dbraw/zinc/58/68/17/1201586817.db2.gz QCRDGMSRVXBRGV-WMZOPIPTSA-N 1 1 372.469 0.996 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130431098 1201590025 /nfs/dbraw/zinc/59/00/25/1201590025.db2.gz PLGGFFBYLSFGJR-VNQPRFMTSA-N 1 1 370.457 0.501 20 30 FCEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130431098 1201590028 /nfs/dbraw/zinc/59/00/28/1201590028.db2.gz PLGGFFBYLSFGJR-VNQPRFMTSA-N 1 1 370.457 0.501 20 30 FCEDMO C=CCCN(OCc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000806058133 1201597246 /nfs/dbraw/zinc/59/72/46/1201597246.db2.gz HBSGPIWDGFVGBA-GOSISDBHSA-N 1 1 374.485 0.885 20 30 FCEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O ZINC001090485567 1201598942 /nfs/dbraw/zinc/59/89/42/1201598942.db2.gz XYRWYNBQPSEJLH-HUUCEWRRSA-N 1 1 369.429 0.424 20 30 FCEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C2)c1 ZINC001219961590 1224702776 /nfs/dbraw/zinc/70/27/76/1224702776.db2.gz YIVBBEQGNDFJDV-CVEARBPZSA-N 1 1 359.430 0.058 20 30 FCEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C2)c1 ZINC001219961590 1224702778 /nfs/dbraw/zinc/70/27/78/1224702778.db2.gz YIVBBEQGNDFJDV-CVEARBPZSA-N 1 1 359.430 0.058 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130568648 1202719861 /nfs/dbraw/zinc/71/98/61/1202719861.db2.gz UUHDHBJNHCSVSG-FUHWJXTLSA-N 1 1 369.473 0.826 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001130592662 1202726625 /nfs/dbraw/zinc/72/66/25/1202726625.db2.gz AKCVDIUUANAEEF-RLFYNMQTSA-N 1 1 371.441 0.839 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@H]1c1cn(C)cn1 ZINC001130596488 1202727952 /nfs/dbraw/zinc/72/79/52/1202727952.db2.gz DXFJKAQBKOFBHU-WMLDXEAASA-N 1 1 363.425 0.913 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596861 1202728317 /nfs/dbraw/zinc/72/83/17/1202728317.db2.gz TXOJSCVUQVCGHO-JENIJYKNSA-N 1 1 355.486 0.669 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3)n[nH]2)O1 ZINC001130744307 1202773200 /nfs/dbraw/zinc/77/32/00/1202773200.db2.gz DEEYLPGEKLYQLL-LSDHHAIUSA-N 1 1 354.414 0.963 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC)n[nH]2)O1 ZINC001130754983 1202773248 /nfs/dbraw/zinc/77/32/48/1202773248.db2.gz SCXDQGOHUKLHQR-FRRDWIJNSA-N 1 1 364.450 0.331 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=COCCO3)n[nH]2)O1 ZINC001130753190 1202776733 /nfs/dbraw/zinc/77/67/33/1202776733.db2.gz VVCMCKUIFIPQHJ-QWHCGFSZSA-N 1 1 361.402 0.142 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCOCC3)n[nH]2)O1 ZINC001130754262 1202777173 /nfs/dbraw/zinc/77/71/73/1202777173.db2.gz BHRPTHQUJFCONH-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)OC)O2)n1 ZINC001130769391 1202785892 /nfs/dbraw/zinc/78/58/92/1202785892.db2.gz HMWAOWUVRPKJKV-HZSPNIEDSA-N 1 1 367.450 0.468 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCOC)O2)n1 ZINC001130768007 1202786186 /nfs/dbraw/zinc/78/61/86/1202786186.db2.gz YCYIORYHGWSHTR-UONOGXRCSA-N 1 1 367.450 0.470 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCC#C)n[nH]2)O1 ZINC001130785131 1202788716 /nfs/dbraw/zinc/78/87/16/1202788716.db2.gz FIGAKQYYVWWXRH-SOUVJXGZSA-N 1 1 359.430 0.292 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCOCC=C)n[nH]2)O1 ZINC001130777011 1202790852 /nfs/dbraw/zinc/79/08/52/1202790852.db2.gz RNTBDWYSHLGNLF-LSDHHAIUSA-N 1 1 361.446 0.847 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[nH]2)O1 ZINC001130777045 1202791116 /nfs/dbraw/zinc/79/11/16/1202791116.db2.gz SVAZMNNYIYBCEY-LSDHHAIUSA-N 1 1 367.413 0.767 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3O)n[nH]2)O1 ZINC001130778056 1202791516 /nfs/dbraw/zinc/79/15/16/1202791516.db2.gz COSFUMWROFCXSH-GXTWGEPZSA-N 1 1 370.413 0.668 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccn(C)n3)n[nH]2)O1 ZINC001130780843 1202792167 /nfs/dbraw/zinc/79/21/67/1202792167.db2.gz GHKIBSBJYNSGSE-UONOGXRCSA-N 1 1 359.434 0.393 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(OC)no3)n[nH]2)O1 ZINC001130778406 1202792245 /nfs/dbraw/zinc/79/22/45/1202792245.db2.gz WNGJSQRWWSFGHA-WDEREUQCSA-N 1 1 362.390 0.727 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(F)cn3)n[nH]2)O1 ZINC001130778459 1202792370 /nfs/dbraw/zinc/79/23/70/1202792370.db2.gz ZCRUIBZGDUBTNO-GXTWGEPZSA-N 1 1 358.377 0.712 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C3CC3)n[nH]2)O1 ZINC001130782942 1202793830 /nfs/dbraw/zinc/79/38/30/1202793830.db2.gz GWCLSXKMNHYQEA-SQWLQELKSA-N 1 1 361.446 0.679 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[nH]2)O1 ZINC001130783195 1202794537 /nfs/dbraw/zinc/79/45/37/1202794537.db2.gz PHKUQSMMMKUNNK-QWHCGFSZSA-N 1 1 357.418 0.829 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]nnc3C)n[nH]2)O1 ZINC001130794010 1202794987 /nfs/dbraw/zinc/79/49/87/1202794987.db2.gz HPWIKAZFBIJWGF-NWDGAFQWSA-N 1 1 360.422 0.547 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(OC)ccn3)n[nH]2)O1 ZINC001130793976 1202795435 /nfs/dbraw/zinc/79/54/35/1202795435.db2.gz FSMGVLKJEPFITR-DZGCQCFKSA-N 1 1 370.413 0.581 20 30 FCEDMO CC(C)[C@@H](C(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCC#N)O2)n1)[NH+](C)C ZINC001130787167 1202796385 /nfs/dbraw/zinc/79/63/85/1202796385.db2.gz CDZLPQNCUOIVDJ-GUTXKFCHSA-N 1 1 363.466 0.340 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)nnc3C)n[nH]2)O1 ZINC001130787282 1202797216 /nfs/dbraw/zinc/79/72/16/1202797216.db2.gz IVHCNEKIOWORET-DZGCQCFKSA-N 1 1 369.429 0.584 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn4c3CCC4)n[nH]2)O1 ZINC001130790101 1202798841 /nfs/dbraw/zinc/79/88/41/1202798841.db2.gz HQFJNZRENKOZBU-SWLSCSKDSA-N 1 1 371.445 0.873 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](COC)OC)n[nH]2)O1 ZINC001130804598 1202800587 /nfs/dbraw/zinc/80/05/87/1202800587.db2.gz MTSBDTQXLJCJGB-MJBXVCDLSA-N 1 1 367.450 0.468 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)n3C)n[nH]2)O1 ZINC001130804579 1202800918 /nfs/dbraw/zinc/80/09/18/1202800918.db2.gz MCTVHVBXYIFDDZ-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n[nH]2)O1 ZINC001130807215 1202801592 /nfs/dbraw/zinc/80/15/92/1202801592.db2.gz UFZUTVPQCFILHP-QKGCVVFFSA-N 1 1 359.430 0.431 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccc(C)n3)n[nH]2)O1 ZINC001130809440 1202802118 /nfs/dbraw/zinc/80/21/18/1202802118.db2.gz YMVCBNFSRHHTDJ-UONOGXRCSA-N 1 1 357.418 0.069 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C(C)C)n3)n[nH]2)O1 ZINC001130809289 1202802170 /nfs/dbraw/zinc/80/21/70/1202802170.db2.gz PWVCADZYYWULQF-DZGCQCFKSA-N 1 1 371.445 0.955 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]c(C)nc3C)n[nH]2)O1 ZINC001130809204 1202802203 /nfs/dbraw/zinc/80/22/03/1202802203.db2.gz MDBRHDKCDDMWKK-UONOGXRCSA-N 1 1 371.445 0.908 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@H](C)O)O2)n1 ZINC001130802542 1202803684 /nfs/dbraw/zinc/80/36/84/1202803684.db2.gz ZKDVWNDEZSIEPV-SOUVJXGZSA-N 1 1 363.462 0.805 20 30 FCEDMO 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C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1Nc1ccncc1C#N ZINC001043361083 1217643107 /nfs/dbraw/zinc/64/31/07/1217643107.db2.gz XYFFCSDNRMAQMV-ZTFGCOKTSA-N 1 1 367.457 0.461 20 30 FCEDMO CC(C)c1ncncc1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224145223 1225761053 /nfs/dbraw/zinc/76/10/53/1225761053.db2.gz MNWSBIAORNRBLR-ZBFHGGJFSA-N 1 1 370.457 0.776 20 30 FCEDMO CC(C)c1ncncc1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224145223 1225761054 /nfs/dbraw/zinc/76/10/54/1225761054.db2.gz MNWSBIAORNRBLR-ZBFHGGJFSA-N 1 1 370.457 0.776 20 30 FCEDMO Cc1cc(N2C[C@H]3OCCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@H]3C2)c(C#N)cn1 ZINC001043677993 1217703121 /nfs/dbraw/zinc/70/31/21/1217703121.db2.gz LKDDWENMZACPRQ-BPQIPLTHSA-N 1 1 355.442 0.772 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)nc3C)C[C@@H]21 ZINC001224207738 1225764612 /nfs/dbraw/zinc/76/46/12/1225764612.db2.gz JSGYIWHBKRVDCO-AEFFLSMTSA-N 1 1 354.454 0.984 20 30 FCEDMO 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C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc3ncnn32)[C@H](C)C1 ZINC001102123876 1220510415 /nfs/dbraw/zinc/51/04/15/1220510415.db2.gz YTVPLUKSWPXSAV-ZIAGYGMSSA-N 1 1 356.430 0.329 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc3nnnn3c2)[C@H](C)C1 ZINC001102143905 1220522605 /nfs/dbraw/zinc/52/26/05/1220522605.db2.gz HZXQLIZMAVZVOT-UMVBOHGHSA-N 1 1 371.445 0.113 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncc3ccccn32)[C@H](C)C1 ZINC001102145230 1220522870 /nfs/dbraw/zinc/52/28/70/1220522870.db2.gz WVEDORBFPGKTIH-HUUCEWRRSA-N 1 1 353.426 0.381 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001102168269 1220530950 /nfs/dbraw/zinc/53/09/50/1220530950.db2.gz DPQFIBIGANDBCE-OAGGEKHMSA-N 1 1 364.490 0.906 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C1(C2CC2)CCOCC1 ZINC001102188970 1220542911 /nfs/dbraw/zinc/54/29/11/1220542911.db2.gz PHPGYRAMBZQOSM-HUUCEWRRSA-N 1 1 362.474 0.517 20 30 FCEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102192665 1220546320 /nfs/dbraw/zinc/54/63/20/1220546320.db2.gz BQDJJOAWNKQHNE-HBUWYVDXSA-N 1 1 368.478 0.355 20 30 FCEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102192666 1220546787 /nfs/dbraw/zinc/54/67/87/1220546787.db2.gz BQDJJOAWNKQHNE-LBTNJELSSA-N 1 1 368.478 0.355 20 30 FCEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102193465 1220546895 /nfs/dbraw/zinc/54/68/95/1220546895.db2.gz ZOWHVGIXJLPBAT-LBTNJELSSA-N 1 1 365.478 0.521 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc(-c3ccco3)on2)[C@H](C)C1 ZINC001102201637 1220547608 /nfs/dbraw/zinc/54/76/08/1220547608.db2.gz FOMSCTBAJBGGTJ-ZIAGYGMSSA-N 1 1 370.409 0.982 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCn2nc(C)cc2C)[C@H](C)C1 ZINC001102203057 1220549755 /nfs/dbraw/zinc/54/97/55/1220549755.db2.gz ZUXFVPIMQYOFSU-RHSMWYFYSA-N 1 1 361.490 0.876 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c(C)c(C)n[nH]c2=O)[C@H](C)C1 ZINC001102209157 1220552272 /nfs/dbraw/zinc/55/22/72/1220552272.db2.gz IRHVARPFTMNSEY-BXUZGUMPSA-N 1 1 361.446 0.399 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001102209269 1220553404 /nfs/dbraw/zinc/55/34/04/1220553404.db2.gz NOSKGOFDDOUNHC-TZMCWYRMSA-N 1 1 354.414 0.500 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1OCCc2ccccc21 ZINC001102210892 1220554335 /nfs/dbraw/zinc/55/43/35/1220554335.db2.gz WXYDVBRBWVOISX-OGWOLHLISA-N 1 1 370.453 0.624 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCNC2=O)[C@H](C)C1 ZINC001102222767 1220560927 /nfs/dbraw/zinc/56/09/27/1220560927.db2.gz GFMZFGADIUSPSD-BZUAXINKSA-N 1 1 364.490 0.231 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](C)C1 ZINC001102254542 1220563435 /nfs/dbraw/zinc/56/34/35/1220563435.db2.gz DPXRRWKHHHEMIB-JLOCXQCDSA-N 1 1 362.474 0.325 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3cnn(C)c3C2)[C@H](C)C1 ZINC001102276595 1220569363 /nfs/dbraw/zinc/56/93/63/1220569363.db2.gz QZFSSHDVOWQMSO-SOLBZPMBSA-N 1 1 358.486 0.859 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](C)C1 ZINC001102276388 1220569539 /nfs/dbraw/zinc/56/95/39/1220569539.db2.gz MMOWPJSJGRHUST-BRWVUGGUSA-N 1 1 366.506 0.082 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](C)C1 ZINC001102276388 1220569545 /nfs/dbraw/zinc/56/95/45/1220569545.db2.gz MMOWPJSJGRHUST-BRWVUGGUSA-N 1 1 366.506 0.082 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCOC2)[C@H](C)C1 ZINC001102277426 1220571501 /nfs/dbraw/zinc/57/15/01/1220571501.db2.gz GKSIPGXLQWQVIT-RKVPGOIHSA-N 1 1 368.453 0.561 20 30 FCEDMO C=CCCCC(=O)NC[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C ZINC001102295694 1220577439 /nfs/dbraw/zinc/57/74/39/1220577439.db2.gz WJNQQIXNRSICDM-HUUCEWRRSA-N 1 1 362.474 0.624 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102383554 1220602468 /nfs/dbraw/zinc/60/24/68/1220602468.db2.gz HDTSTTNFAVIIGY-DDBAPUKQSA-N 1 1 367.490 0.414 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)Cn3ccc(C)n3)[C@H](C)C2)C1=O ZINC001102386496 1220603360 /nfs/dbraw/zinc/60/33/60/1220603360.db2.gz MZWYPYHNMYJXPI-DJIMGWMZSA-N 1 1 359.474 0.663 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001102397671 1220610487 /nfs/dbraw/zinc/61/04/87/1220610487.db2.gz SPECWEBSKYWMSL-UKRRQHHQSA-N 1 1 356.426 0.559 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(c3cncc(C#N)n3)C2)O1 ZINC001102406824 1220612935 /nfs/dbraw/zinc/61/29/35/1220612935.db2.gz HZUPNZGDRGJOIV-IIAWOOMASA-N 1 1 358.446 0.400 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[C@@H]2CCN(c3cncc(C#N)n3)C2)O1 ZINC001102406824 1220612939 /nfs/dbraw/zinc/61/29/39/1220612939.db2.gz HZUPNZGDRGJOIV-IIAWOOMASA-N 1 1 358.446 0.400 20 30 FCEDMO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@H]2C)nn1 ZINC001102444517 1220627787 /nfs/dbraw/zinc/62/77/87/1220627787.db2.gz XWVZUEHHHLGZKP-QLFBSQMISA-N 1 1 362.478 0.677 20 30 FCEDMO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)nn1 ZINC001102449933 1220628574 /nfs/dbraw/zinc/62/85/74/1220628574.db2.gz SMLZCEOUUKHGQW-HZPDHXFCSA-N 1 1 365.478 0.815 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2ccccc2COC)[C@H](C)C1 ZINC001102457070 1220629768 /nfs/dbraw/zinc/62/97/68/1220629768.db2.gz HBSZOARSXWFXAG-VQIMIIECSA-N 1 1 371.481 0.809 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2nc(CC)oc2C)[C@H](C)C1 ZINC001102456207 1220630547 /nfs/dbraw/zinc/63/05/47/1220630547.db2.gz OLAXXSRZBUWRQZ-VNHYZAJKSA-N 1 1 360.458 0.981 20 30 FCEDMO C[C@H]1Cc2cc(C(=O)NC[C@@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]3C)ccc2O1 ZINC001102465161 1220636033 /nfs/dbraw/zinc/63/60/33/1220636033.db2.gz JVNNZOFCAWXMBA-JKIFEVAISA-N 1 1 370.453 0.947 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cc3ncccn3n2)[C@H](C)C1 ZINC001102474862 1220644800 /nfs/dbraw/zinc/64/48/00/1220644800.db2.gz NUUJSEUAFPGMTE-ZIAGYGMSSA-N 1 1 356.430 0.329 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)c2ncccn2)[C@H](C)C1 ZINC001102477154 1220645432 /nfs/dbraw/zinc/64/54/32/1220645432.db2.gz PMHLFSABMSGBBT-HZPDHXFCSA-N 1 1 357.458 0.975 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2ccco2)[C@H](C)C1 ZINC001102477798 1220645833 /nfs/dbraw/zinc/64/58/33/1220645833.db2.gz SITGFQGDZONPCK-ZIAGYGMSSA-N 1 1 362.430 0.518 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cnn(CC)c2C)[C@H](C)C1 ZINC001102477231 1220645988 /nfs/dbraw/zinc/64/59/88/1220645988.db2.gz SNZOAHCEFKFNCP-VNQPRFMTSA-N 1 1 359.474 0.647 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cnc3c(cnn3C)c2)[C@H](C)C1 ZINC001102480175 1220647443 /nfs/dbraw/zinc/64/74/43/1220647443.db2.gz BBSYBONREOVRDP-CZUORRHYSA-N 1 1 368.441 0.015 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC(C)C)c2)[C@H](C)C1 ZINC001102480239 1220647472 /nfs/dbraw/zinc/64/74/72/1220647472.db2.gz FNAWOLQGTAXZGQ-HZPDHXFCSA-N 1 1 359.474 0.586 20 30 FCEDMO CC(C)Cn1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)cn1 ZINC001102480187 1220647583 /nfs/dbraw/zinc/64/75/83/1220647583.db2.gz BOJBKUKGFRLSRN-HUUCEWRRSA-N 1 1 360.462 0.477 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cn(CCC)nn2)[C@H](C)C1 ZINC001102485997 1220649152 /nfs/dbraw/zinc/64/91/52/1220649152.db2.gz MAXFHVMAGFQRQV-QLFBSQMISA-N 1 1 360.462 0.124 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(CC3CC3)nn2)[C@H](C)C1 ZINC001102487041 1220650079 /nfs/dbraw/zinc/65/00/79/1220650079.db2.gz IHPBUJYFPMEKIY-UKRRQHHQSA-N 1 1 360.462 0.288 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2coc(COC)n2)[C@H](C)C1 ZINC001102487455 1220651641 /nfs/dbraw/zinc/65/16/41/1220651641.db2.gz FGSNCIGKWKOQBO-HZSPNIEDSA-N 1 1 362.430 0.257 20 30 FCEDMO 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ZINC001575062680 1271705242 /nfs/dbraw/zinc/70/52/42/1271705242.db2.gz USDARSHETCIJQL-UHFFFAOYSA-N 1 1 362.478 0.851 20 30 FCEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001575079426 1271711380 /nfs/dbraw/zinc/71/13/80/1271711380.db2.gz XLTUUCRMHVRFJQ-HIFRSBDPSA-N 1 1 362.478 0.898 20 30 FCEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001575079428 1271712126 /nfs/dbraw/zinc/71/21/26/1271712126.db2.gz XLTUUCRMHVRFJQ-UKRRQHHQSA-N 1 1 362.478 0.898 20 30 FCEDMO C=CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NCc1cn[nH]n1 ZINC001575085517 1271715297 /nfs/dbraw/zinc/71/52/97/1271715297.db2.gz LENRTUSVUVZHSQ-LLLHUVSDSA-N 1 1 372.473 0.556 20 30 FCEDMO C=CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC(=O)NCc1c[nH]nn1 ZINC001575085517 1271715304 /nfs/dbraw/zinc/71/53/04/1271715304.db2.gz LENRTUSVUVZHSQ-LLLHUVSDSA-N 1 1 372.473 0.556 20 30 FCEDMO C=CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@H+]1CC(=O)NCc1c[nH]nn1 ZINC001575085517 1271715309 /nfs/dbraw/zinc/71/53/09/1271715309.db2.gz LENRTUSVUVZHSQ-LLLHUVSDSA-N 1 1 372.473 0.556 20 30 FCEDMO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2cn[nH]n2)C1 ZINC001575093898 1271716169 /nfs/dbraw/zinc/71/61/69/1271716169.db2.gz RABRBBOTJFCJEX-PBHICJAKSA-N 1 1 351.451 0.883 20 30 FCEDMO C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575093898 1271716175 /nfs/dbraw/zinc/71/61/75/1271716175.db2.gz RABRBBOTJFCJEX-PBHICJAKSA-N 1 1 351.451 0.883 20 30 FCEDMO C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575093898 1271716178 /nfs/dbraw/zinc/71/61/78/1271716178.db2.gz RABRBBOTJFCJEX-PBHICJAKSA-N 1 1 351.451 0.883 20 30 FCEDMO C=CCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001575096983 1271716276 /nfs/dbraw/zinc/71/62/76/1271716276.db2.gz DHMDTTDEZZQHGF-UHFFFAOYSA-N 1 1 359.434 0.927 20 30 FCEDMO C=CCC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001575096790 1271717379 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ZINC001206781773 853721173 /nfs/dbraw/zinc/72/11/73/853721173.db2.gz AEDYKXMCPWCCRR-HZSPNIEDSA-N 1 1 354.451 0.250 20 30 FCEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1C ZINC001206781773 853721176 /nfs/dbraw/zinc/72/11/76/853721176.db2.gz AEDYKXMCPWCCRR-HZSPNIEDSA-N 1 1 354.451 0.250 20 30 FCEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001206913327 853748861 /nfs/dbraw/zinc/74/88/61/853748861.db2.gz GHOCORBLVUULKX-OWCLPIDISA-N 1 1 355.504 0.508 20 30 FCEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001206911435 853749187 /nfs/dbraw/zinc/74/91/87/853749187.db2.gz PTHABZIKSRHGGJ-JFIYKMOQSA-N 1 1 352.475 0.783 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001206915498 853749797 /nfs/dbraw/zinc/74/97/97/853749797.db2.gz ARSGTTYMTUJQOA-HBUWYVDXSA-N 1 1 354.495 0.848 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1C ZINC001206915499 853750201 /nfs/dbraw/zinc/75/02/01/853750201.db2.gz ARSGTTYMTUJQOA-LBTNJELSSA-N 1 1 354.495 0.848 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1C ZINC001206957560 853764515 /nfs/dbraw/zinc/76/45/15/853764515.db2.gz DTZWPOVVZBRKNT-UKRRQHHQSA-N 1 1 351.472 0.695 20 30 FCEDMO CNS(=O)(=O)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001206964869 853767325 /nfs/dbraw/zinc/76/73/25/853767325.db2.gz DTLJQYGZSGGSQD-CZUORRHYSA-N 1 1 364.471 0.434 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001206977030 853774109 /nfs/dbraw/zinc/77/41/09/853774109.db2.gz PMAYKTVUGLQZLR-NQBHXWOUSA-N 1 1 353.854 0.814 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001206977030 853774116 /nfs/dbraw/zinc/77/41/16/853774116.db2.gz PMAYKTVUGLQZLR-NQBHXWOUSA-N 1 1 353.854 0.814 20 30 FCEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207306332 853802464 /nfs/dbraw/zinc/80/24/64/853802464.db2.gz IDMIKZSJANOCGX-CZUORRHYSA-N 1 1 364.471 0.386 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1 ZINC001207323816 853804443 /nfs/dbraw/zinc/80/44/43/853804443.db2.gz JLYZPMAZPZSVSB-HUUCEWRRSA-N 1 1 363.483 0.906 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001207713157 853845041 /nfs/dbraw/zinc/84/50/41/853845041.db2.gz MNJKFXDQKSCPLZ-NQBHXWOUSA-N 1 1 353.854 0.814 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001207713157 853845045 /nfs/dbraw/zinc/84/50/45/853845045.db2.gz MNJKFXDQKSCPLZ-NQBHXWOUSA-N 1 1 353.854 0.814 20 30 FCEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001207736393 853853013 /nfs/dbraw/zinc/85/30/13/853853013.db2.gz OVLSYNUSHIJLPV-GDBMZVCRSA-N 1 1 354.495 0.646 20 30 FCEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001208315097 853918349 /nfs/dbraw/zinc/91/83/49/853918349.db2.gz KBCZFGDNGSJQPU-HUUCEWRRSA-N 1 1 350.463 0.852 20 30 FCEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001208315097 853918356 /nfs/dbraw/zinc/91/83/56/853918356.db2.gz KBCZFGDNGSJQPU-HUUCEWRRSA-N 1 1 350.463 0.852 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001208461524 853938647 /nfs/dbraw/zinc/93/86/47/853938647.db2.gz QDZQCTGBWQFQFR-ZIAGYGMSSA-N 1 1 350.463 0.113 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001208461524 853938651 /nfs/dbraw/zinc/93/86/51/853938651.db2.gz QDZQCTGBWQFQFR-ZIAGYGMSSA-N 1 1 350.463 0.113 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CCOCC2)C1 ZINC001208629006 853961364 /nfs/dbraw/zinc/96/13/64/853961364.db2.gz LHCNVTKRQHXNPF-RBSFLKMASA-N 1 1 353.438 0.327 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CCOCC2)C1 ZINC001208629006 853961370 /nfs/dbraw/zinc/96/13/70/853961370.db2.gz LHCNVTKRQHXNPF-RBSFLKMASA-N 1 1 353.438 0.327 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001208944729 853983365 /nfs/dbraw/zinc/98/33/65/853983365.db2.gz NJALFMVZRBSUKC-YRGRVCCFSA-N 1 1 351.838 0.111 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001208944729 853983369 /nfs/dbraw/zinc/98/33/69/853983369.db2.gz NJALFMVZRBSUKC-YRGRVCCFSA-N 1 1 351.838 0.111 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001208945692 853984836 /nfs/dbraw/zinc/98/48/36/853984836.db2.gz WTMGSAUJJJMXRY-MBNYWOFBSA-N 1 1 353.854 0.664 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001208945692 853984838 /nfs/dbraw/zinc/98/48/38/853984838.db2.gz WTMGSAUJJJMXRY-MBNYWOFBSA-N 1 1 353.854 0.664 20 30 FCEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001208984903 853987831 /nfs/dbraw/zinc/98/78/31/853987831.db2.gz JZPKARQGFDCUOC-HUUCEWRRSA-N 1 1 360.524 0.565 20 30 FCEDMO C=CCN(CC[N@@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21)C(=O)OCC ZINC001209018225 853989791 /nfs/dbraw/zinc/98/97/91/853989791.db2.gz IEDTVYLBHNWHNR-CABCVRRESA-N 1 1 359.492 0.987 20 30 FCEDMO C=CCN(CC[N@H+]1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21)C(=O)OCC ZINC001209018225 853989799 /nfs/dbraw/zinc/98/97/99/853989799.db2.gz IEDTVYLBHNWHNR-CABCVRRESA-N 1 1 359.492 0.987 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CCOCC2)C1 ZINC001209079392 853996642 /nfs/dbraw/zinc/99/66/42/853996642.db2.gz YRSONNUGJNOJBK-IJEWVQPXSA-N 1 1 353.463 0.309 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CCOCC2)C1 ZINC001209079392 853996647 /nfs/dbraw/zinc/99/66/47/853996647.db2.gz YRSONNUGJNOJBK-IJEWVQPXSA-N 1 1 353.463 0.309 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(=O)NCC2CC2)C1 ZINC001210158813 854084928 /nfs/dbraw/zinc/08/49/28/854084928.db2.gz ICUWUVAOFPSFTK-VNHYZAJKSA-N 1 1 350.463 0.030 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCOC2CCOCC2)C1 ZINC001210172298 854086000 /nfs/dbraw/zinc/08/60/00/854086000.db2.gz IFYVYVMWCOFRDE-GDBMZVCRSA-N 1 1 353.463 0.311 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOC2CCOCC2)C1 ZINC001210172298 854086007 /nfs/dbraw/zinc/08/60/07/854086007.db2.gz IFYVYVMWCOFRDE-GDBMZVCRSA-N 1 1 353.463 0.311 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(=O)N(C)C)C1 ZINC001210385687 854103955 /nfs/dbraw/zinc/10/39/55/854103955.db2.gz JZZPLJQVWBZSGG-RBSFLKMASA-N 1 1 352.479 0.372 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(=O)N(C)C)C1 ZINC001210385687 854103958 /nfs/dbraw/zinc/10/39/58/854103958.db2.gz JZZPLJQVWBZSGG-RBSFLKMASA-N 1 1 352.479 0.372 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)nc1 ZINC001210416802 854108542 /nfs/dbraw/zinc/10/85/42/854108542.db2.gz VWNONGMITNAUFQ-CZUORRHYSA-N 1 1 364.471 0.004 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2C)nc1 ZINC001210416802 854108548 /nfs/dbraw/zinc/10/85/48/854108548.db2.gz VWNONGMITNAUFQ-CZUORRHYSA-N 1 1 364.471 0.004 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001210972792 854144954 /nfs/dbraw/zinc/14/49/54/854144954.db2.gz FSBXEILXAURYQC-MGPQQGTHSA-N 1 1 352.479 0.276 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001210972792 854144955 /nfs/dbraw/zinc/14/49/55/854144955.db2.gz FSBXEILXAURYQC-MGPQQGTHSA-N 1 1 352.479 0.276 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)C(=O)c2ccsc2)C1 ZINC001211172695 854166296 /nfs/dbraw/zinc/16/62/96/854166296.db2.gz XKOXRWFIOAVIMM-GDBMZVCRSA-N 1 1 363.483 0.906 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001211275820 854173020 /nfs/dbraw/zinc/17/30/20/854173020.db2.gz SUIYRGKCAXBRNR-RBSFLKMASA-N 1 1 350.463 0.126 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001211275820 854173023 /nfs/dbraw/zinc/17/30/23/854173023.db2.gz SUIYRGKCAXBRNR-RBSFLKMASA-N 1 1 350.463 0.126 20 30 FCEDMO CO[C@@H]1C[N@@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211888736 854275447 /nfs/dbraw/zinc/27/54/47/854275447.db2.gz MUUYZMGDGHAUKR-RBSFLKMASA-N 1 1 357.476 0.254 20 30 FCEDMO CO[C@@H]1C[N@@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CSCC#N ZINC001211888737 854275675 /nfs/dbraw/zinc/27/56/75/854275675.db2.gz MUUYZMGDGHAUKR-RRFJBIMHSA-N 1 1 357.476 0.254 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]1OC ZINC001212032367 854339755 /nfs/dbraw/zinc/33/97/55/854339755.db2.gz XNCMEPOEHOPMTM-VXGBXAGGSA-N 1 1 367.368 0.073 20 30 FCEDMO CO[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127467 854373832 /nfs/dbraw/zinc/37/38/32/854373832.db2.gz MEXIVCVHMHCMEE-RAIGVLPGSA-N 1 1 360.336 0.629 20 30 FCEDMO CO[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127467 854373840 /nfs/dbraw/zinc/37/38/40/854373840.db2.gz MEXIVCVHMHCMEE-RAIGVLPGSA-N 1 1 360.336 0.629 20 30 FCEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](OC)C1 ZINC001212361282 854450786 /nfs/dbraw/zinc/45/07/86/854450786.db2.gz GEGJTJNQYACGFN-HUUCEWRRSA-N 1 1 363.524 0.664 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOC(C)C)C[C@H]1OC ZINC001212419765 854470854 /nfs/dbraw/zinc/47/08/54/854470854.db2.gz AXBVGFGIASNQJB-FGTMMUONSA-N 1 1 351.491 0.715 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](OC)C1 ZINC001212440657 854479215 /nfs/dbraw/zinc/47/92/15/854479215.db2.gz DXFWSSNPSULKOJ-ZIAGYGMSSA-N 1 1 358.389 0.780 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)F)n2)[C@H](OC)C1 ZINC001212440657 854479217 /nfs/dbraw/zinc/47/92/17/854479217.db2.gz DXFWSSNPSULKOJ-ZIAGYGMSSA-N 1 1 358.389 0.780 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@H](OC)C1 ZINC001212450977 854483647 /nfs/dbraw/zinc/48/36/47/854483647.db2.gz IBGKQWMVOWVZGS-HZPDHXFCSA-N 1 1 350.463 0.945 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](OC)C1 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C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cncnc3C)C[C@H]21 ZINC000972835567 1180881567 /nfs/dbraw/zinc/88/15/67/1180881567.db2.gz YKJGGORVZRBDJB-BPQIPLTHSA-N 1 1 367.453 0.556 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cncnc3C)C[C@H]21 ZINC000972835567 1180881570 /nfs/dbraw/zinc/88/15/70/1180881570.db2.gz YKJGGORVZRBDJB-BPQIPLTHSA-N 1 1 367.453 0.556 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@H]21 ZINC000972842443 1180886471 /nfs/dbraw/zinc/88/64/71/1180886471.db2.gz AXACRGSYDAMFQM-XOKHGSTOSA-N 1 1 358.417 0.924 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@H]21 ZINC000972842443 1180886477 /nfs/dbraw/zinc/88/64/77/1180886477.db2.gz AXACRGSYDAMFQM-XOKHGSTOSA-N 1 1 358.417 0.924 20 30 FCEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000785217621 1180930949 /nfs/dbraw/zinc/93/09/49/1180930949.db2.gz PBASAJZVNOXVGW-HNNXBMFYSA-N 1 1 373.453 0.941 20 30 FCEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000785217621 1180930954 /nfs/dbraw/zinc/93/09/54/1180930954.db2.gz PBASAJZVNOXVGW-HNNXBMFYSA-N 1 1 373.453 0.941 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024192574 1180963632 /nfs/dbraw/zinc/96/36/32/1180963632.db2.gz VFNURPPLFVSCLO-ZOBUZTSGSA-N 1 1 362.478 0.910 20 30 FCEDMO C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001024232490 1181003070 /nfs/dbraw/zinc/00/30/70/1181003070.db2.gz CCJSKFBZHGBFMS-ZMSDIMECSA-N 1 1 360.458 0.317 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)O1 ZINC000947248891 1181333687 /nfs/dbraw/zinc/33/36/87/1181333687.db2.gz BATRSNHSRIGQCN-MLGOLLRUSA-N 1 1 359.430 0.326 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)O1 ZINC000947248891 1181333692 /nfs/dbraw/zinc/33/36/92/1181333692.db2.gz BATRSNHSRIGQCN-MLGOLLRUSA-N 1 1 359.430 0.326 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 ZINC001083271282 1181513782 /nfs/dbraw/zinc/51/37/82/1181513782.db2.gz AKKKZXDCTQBDPC-DLBZAZTESA-N 1 1 354.414 0.764 20 30 FCEDMO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cnnn4)c3)[C@H]2C1 ZINC001083271282 1181513787 /nfs/dbraw/zinc/51/37/87/1181513787.db2.gz AKKKZXDCTQBDPC-DLBZAZTESA-N 1 1 354.414 0.764 20 30 FCEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271683 1181519640 /nfs/dbraw/zinc/51/96/40/1181519640.db2.gz WSTGHOAJYMWEFJ-BPQIPLTHSA-N 1 1 359.470 0.712 20 30 FCEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273808 1181736437 /nfs/dbraw/zinc/73/64/37/1181736437.db2.gz JCGFJTSNHWZXSS-CEXWTWQISA-N 1 1 354.454 0.922 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2O)nc1 ZINC001024926691 1181765834 /nfs/dbraw/zinc/76/58/34/1181765834.db2.gz MABJOVIYLIHFQY-FGTMMUONSA-N 1 1 370.453 0.239 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001025189091 1182062958 /nfs/dbraw/zinc/06/29/58/1182062958.db2.gz DIFKSSHAPFLXHV-IXDOHACOSA-N 1 1 361.486 0.598 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001025189091 1182062963 /nfs/dbraw/zinc/06/29/63/1182062963.db2.gz DIFKSSHAPFLXHV-IXDOHACOSA-N 1 1 361.486 0.598 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC001104626608 1182306549 /nfs/dbraw/zinc/30/65/49/1182306549.db2.gz TXLJSLPKFRUUKT-MGPQQGTHSA-N 1 1 363.462 0.504 20 30 FCEDMO C[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104714755 1182391695 /nfs/dbraw/zinc/39/16/95/1182391695.db2.gz XVFCNCFMABBHHN-TZMCWYRMSA-N 1 1 358.446 0.615 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001025491144 1182434378 /nfs/dbraw/zinc/43/43/78/1182434378.db2.gz QUEXMOFVYZNRBQ-FGTMMUONSA-N 1 1 359.470 0.518 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001025491144 1182434384 /nfs/dbraw/zinc/43/43/84/1182434384.db2.gz QUEXMOFVYZNRBQ-FGTMMUONSA-N 1 1 359.470 0.518 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC23CCN(c2cnc(C#N)cn2)CC3)O1 ZINC001058656136 1182589897 /nfs/dbraw/zinc/58/98/97/1182589897.db2.gz VVKDAJBZRVLOKM-BMFZPTHFSA-N 1 1 370.457 0.542 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC23CCN(c2cnc(C#N)cn2)CC3)O1 ZINC001058656136 1182589909 /nfs/dbraw/zinc/58/99/09/1182589909.db2.gz VVKDAJBZRVLOKM-BMFZPTHFSA-N 1 1 370.457 0.542 20 30 FCEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001025683941 1182682816 /nfs/dbraw/zinc/68/28/16/1182682816.db2.gz VFRLCNDOZNWAKT-ATZDWAIDSA-N 1 1 369.465 0.383 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2OCC[C@H]2C(C)C)C1=O ZINC001025790629 1182840255 /nfs/dbraw/zinc/84/02/55/1182840255.db2.gz YHDOSMOGMWFLIW-MNWMBMHPSA-N 1 1 361.486 0.881 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001025791301 1182841497 /nfs/dbraw/zinc/84/14/97/1182841497.db2.gz LZIQJOXDVSQCDZ-UDOHHAEJSA-N 1 1 357.458 0.793 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]21 ZINC001026101788 1182889639 /nfs/dbraw/zinc/88/96/39/1182889639.db2.gz GPFCCQYGUZWBDX-ZRTWPRGNSA-N 1 1 361.486 0.930 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1=O ZINC001026101794 1182889767 /nfs/dbraw/zinc/88/97/67/1182889767.db2.gz GXSUSVZKDVMEAU-MNWMBMHPSA-N 1 1 359.470 0.801 20 30 FCEDMO CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001104869705 1182967901 /nfs/dbraw/zinc/96/79/01/1182967901.db2.gz BJFNUPBUFBISTF-UMVBOHGHSA-N 1 1 360.462 0.889 20 30 FCEDMO CCc1nc(C#N)cc(NC[C@@H](C)N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001104869705 1182967908 /nfs/dbraw/zinc/96/79/08/1182967908.db2.gz BJFNUPBUFBISTF-UMVBOHGHSA-N 1 1 360.462 0.889 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000974285225 1183092456 /nfs/dbraw/zinc/09/24/56/1183092456.db2.gz JCJHSNWPHSLEOJ-FIRUKDTASA-N 1 1 362.430 0.704 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C(F)(F)F ZINC001112087358 1183144689 /nfs/dbraw/zinc/14/46/89/1183144689.db2.gz AMSOOWVTWGFGGT-MRVWCRGKSA-N 1 1 371.359 0.939 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)CC1(C)C ZINC000974586037 1183364523 /nfs/dbraw/zinc/36/45/23/1183364523.db2.gz CUHKSZOZGAARKB-OWCLPIDISA-N 1 1 364.490 0.819 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)C[C@H]32)nc1 ZINC000974670654 1183432346 /nfs/dbraw/zinc/43/23/46/1183432346.db2.gz CXOMKVHQJXHXDQ-BPQIPLTHSA-N 1 1 352.438 0.830 20 30 FCEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1 ZINC000975633584 1183990673 /nfs/dbraw/zinc/99/06/73/1183990673.db2.gz BJTHIYXHNWSNAG-JQFCIGGWSA-N 1 1 371.441 0.280 20 30 FCEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1 ZINC000975633584 1183990678 /nfs/dbraw/zinc/99/06/78/1183990678.db2.gz BJTHIYXHNWSNAG-JQFCIGGWSA-N 1 1 371.441 0.280 20 30 FCEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 ZINC000975635486 1183997541 /nfs/dbraw/zinc/99/75/41/1183997541.db2.gz FANMIDWWJIKYQD-BHYGNILZSA-N 1 1 371.441 0.280 20 30 FCEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 ZINC000975635486 1183997543 /nfs/dbraw/zinc/99/75/43/1183997543.db2.gz FANMIDWWJIKYQD-BHYGNILZSA-N 1 1 371.441 0.280 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@H]2C1 ZINC000975776076 1185752827 /nfs/dbraw/zinc/75/28/27/1185752827.db2.gz ROKHYVWXZSGSDD-SZMVWBNQSA-N 1 1 369.469 0.499 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@H]2C1 ZINC000975776076 1185752849 /nfs/dbraw/zinc/75/28/49/1185752849.db2.gz ROKHYVWXZSGSDD-SZMVWBNQSA-N 1 1 369.469 0.499 20 30 FCEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)cc1 ZINC000978710714 1185994119 /nfs/dbraw/zinc/99/41/19/1185994119.db2.gz ZIKRTCJSKFWQBW-IECFSIQFSA-N 1 1 368.437 0.385 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000978884851 1186020587 /nfs/dbraw/zinc/02/05/87/1186020587.db2.gz UYHYSLOOVLAFBX-ALYAQQCSSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000978884851 1186020595 /nfs/dbraw/zinc/02/05/95/1186020595.db2.gz UYHYSLOOVLAFBX-ALYAQQCSSA-N 1 1 365.474 0.309 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000978952582 1186033330 /nfs/dbraw/zinc/03/33/30/1186033330.db2.gz JTUIPZZVSJCECV-WKULXVSPSA-N 1 1 361.486 0.910 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000978952582 1186033336 /nfs/dbraw/zinc/03/33/36/1186033336.db2.gz JTUIPZZVSJCECV-WKULXVSPSA-N 1 1 361.486 0.910 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)OC)nn2)C1 ZINC001105342373 1186071004 /nfs/dbraw/zinc/07/10/04/1186071004.db2.gz ADLHFCVGLCOESO-COXVUDFISA-N 1 1 363.462 0.767 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC001027888170 1186193167 /nfs/dbraw/zinc/19/31/67/1186193167.db2.gz HSTADZJLMHFNTR-ZNMIVQPWSA-N 1 1 364.446 0.100 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC001027888169 1186193199 /nfs/dbraw/zinc/19/31/99/1186193199.db2.gz HSTADZJLMHFNTR-KFWWJZLASA-N 1 1 364.446 0.100 20 30 FCEDMO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001087429910 1186216692 /nfs/dbraw/zinc/21/66/92/1186216692.db2.gz KGVFDPGFZGIRAD-OWCLPIDISA-N 1 1 354.410 0.192 20 30 FCEDMO C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001087429910 1186216698 /nfs/dbraw/zinc/21/66/98/1186216698.db2.gz KGVFDPGFZGIRAD-OWCLPIDISA-N 1 1 354.410 0.192 20 30 FCEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001087434428 1186498311 /nfs/dbraw/zinc/49/83/11/1186498311.db2.gz MFQPDVQUIGOOJX-QZTJIDSGSA-N 1 1 356.470 0.579 20 30 FCEDMO C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C2)C1 ZINC000981908550 1186569916 /nfs/dbraw/zinc/56/99/16/1186569916.db2.gz IVPVXBXRQAHXOY-MSOLQXFVSA-N 1 1 363.502 0.977 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028190631 1186612788 /nfs/dbraw/zinc/61/27/88/1186612788.db2.gz XPFXDYPCSGQKMI-IKGGRYGDSA-N 1 1 364.490 0.964 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCNC1=O ZINC001028190632 1186612987 /nfs/dbraw/zinc/61/29/87/1186612987.db2.gz XPFXDYPCSGQKMI-ULQDDVLXSA-N 1 1 364.490 0.964 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC000982023306 1186632571 /nfs/dbraw/zinc/63/25/71/1186632571.db2.gz AVLGLBUBHFVYAE-KGLIPLIRSA-N 1 1 361.446 0.124 20 30 FCEDMO 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C=C[C@@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001129795845 1201392266 /nfs/dbraw/zinc/39/22/66/1201392266.db2.gz RFUZUWHFURRGAQ-HLLBOEOZSA-N 1 1 360.418 0.443 20 30 FCEDMO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cn1 ZINC001129822150 1201401358 /nfs/dbraw/zinc/40/13/58/1201401358.db2.gz HMDZAVQTAXOJJU-SJORKVTESA-N 1 1 353.430 0.578 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129829417 1201403120 /nfs/dbraw/zinc/40/31/20/1201403120.db2.gz GYDPIDBGMBUGEU-CVEARBPZSA-N 1 1 369.429 0.422 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(CC(C)C)[nH]2)C[C@@H]1n1ccnn1 ZINC001129850286 1201404973 /nfs/dbraw/zinc/40/49/73/1201404973.db2.gz WRSNOJKHZXMHKO-CVEARBPZSA-N 1 1 355.446 0.878 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001086625447 1201405520 /nfs/dbraw/zinc/40/55/20/1201405520.db2.gz AWKNTZVSBVRKMR-DLBZAZTESA-N 1 1 352.438 0.945 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918968 1201440638 /nfs/dbraw/zinc/44/06/38/1201440638.db2.gz NPPFQSUMZVZKJN-OLMNPRSZSA-N 1 1 367.457 0.480 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949075 1201447569 /nfs/dbraw/zinc/44/75/69/1201447569.db2.gz NVHBSEROLFFEEH-MSOLQXFVSA-N 1 1 358.490 0.907 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949075 1201447575 /nfs/dbraw/zinc/44/75/75/1201447575.db2.gz NVHBSEROLFFEEH-MSOLQXFVSA-N 1 1 358.490 0.907 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001129943269 1201453256 /nfs/dbraw/zinc/45/32/56/1201453256.db2.gz VRDSXJGZLVXXNU-FGTMMUONSA-N 1 1 356.474 0.517 20 30 FCEDMO C=CCCC1(C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)[C@@H](n3ccnn3)C2)CC1 ZINC001129999337 1201466607 /nfs/dbraw/zinc/46/66/07/1201466607.db2.gz XMUKGYMURYXRKM-CVEARBPZSA-N 1 1 370.461 0.695 20 30 FCEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@@H]1n1ccnn1 ZINC001130012280 1201472107 /nfs/dbraw/zinc/47/21/07/1201472107.db2.gz YIGKQAVXHLGJQC-IMJJTQAJSA-N 1 1 358.450 0.725 20 30 FCEDMO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1n1ccnn1 ZINC001130012280 1201472111 /nfs/dbraw/zinc/47/21/11/1201472111.db2.gz YIGKQAVXHLGJQC-IMJJTQAJSA-N 1 1 358.450 0.725 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030562 1201480868 /nfs/dbraw/zinc/48/08/68/1201480868.db2.gz GLYQMZONHDTSHE-SQNIBIBYSA-N 1 1 358.490 0.906 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030562 1201480874 /nfs/dbraw/zinc/48/08/74/1201480874.db2.gz GLYQMZONHDTSHE-SQNIBIBYSA-N 1 1 358.490 0.906 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)CC)C[C@@H]1n1ccnn1 ZINC001130083698 1201493546 /nfs/dbraw/zinc/49/35/46/1201493546.db2.gz GENWXFGZRBPTKY-CEXWTWQISA-N 1 1 366.469 0.946 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001130088927 1201497375 /nfs/dbraw/zinc/49/73/75/1201497375.db2.gz PKJWEYGBOUZWLW-WBVHZDCISA-N 1 1 355.446 0.971 20 30 FCEDMO CCC[N@H+](C)CCC(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130096819 1201499008 /nfs/dbraw/zinc/49/90/08/1201499008.db2.gz SNBIIPOPPMXYNB-SJORKVTESA-N 1 1 362.478 0.001 20 30 FCEDMO CCC[N@@H+](C)CCC(=O)N1C[C@@H](NCC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130096819 1201499009 /nfs/dbraw/zinc/49/90/09/1201499009.db2.gz SNBIIPOPPMXYNB-SJORKVTESA-N 1 1 362.478 0.001 20 30 FCEDMO C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001130150893 1201516764 /nfs/dbraw/zinc/51/67/64/1201516764.db2.gz FEILZCMNJRBECL-SJORKVTESA-N 1 1 371.445 0.511 20 30 FCEDMO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001130151479 1201517495 /nfs/dbraw/zinc/51/74/95/1201517495.db2.gz SQJITTMJLLGCRB-BMFZPTHFSA-N 1 1 360.418 0.707 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC2CC2)n1 ZINC001130187775 1201528082 /nfs/dbraw/zinc/52/80/82/1201528082.db2.gz IVCSUUNWJAXZNL-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC2CC2)n[nH]1 ZINC001130187775 1201528086 /nfs/dbraw/zinc/52/80/86/1201528086.db2.gz IVCSUUNWJAXZNL-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCOC2)[nH]1 ZINC001130198584 1201534735 /nfs/dbraw/zinc/53/47/35/1201534735.db2.gz PQWXXSLJUATZPG-ILXRZTDVSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H]2CCCO2)[nH]1 ZINC001130184826 1201537215 /nfs/dbraw/zinc/53/72/15/1201537215.db2.gz HXUMKWZHLQXZLR-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)n[nH]2)[nH]1 ZINC001130184610 1201537848 /nfs/dbraw/zinc/53/78/48/1201537848.db2.gz BUIPAZONRHURKV-ZFWWWQNUSA-N 1 1 371.445 0.506 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn[nH]2)n1 ZINC001130184913 1201538681 /nfs/dbraw/zinc/53/86/81/1201538681.db2.gz MFFQJJVXVRCJOP-JSGCOSHPSA-N 1 1 359.434 0.886 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn[nH]2)n[nH]1 ZINC001130184913 1201538686 /nfs/dbraw/zinc/53/86/86/1201538686.db2.gz MFFQJJVXVRCJOP-JSGCOSHPSA-N 1 1 359.434 0.886 20 30 FCEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130204745 1201539440 /nfs/dbraw/zinc/53/94/40/1201539440.db2.gz IRCBCTYOYUERNL-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130204745 1201539444 /nfs/dbraw/zinc/53/94/44/1201539444.db2.gz IRCBCTYOYUERNL-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC(F)(F)C2)[nH]1 ZINC001130220497 1201542904 /nfs/dbraw/zinc/54/29/04/1201542904.db2.gz ANQFZGNYCITOKM-STQMWFEESA-N 1 1 367.400 0.952 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(OCC)C2)n1 ZINC001130209454 1201543140 /nfs/dbraw/zinc/54/31/40/1201543140.db2.gz AVYMBMSSTQVZKA-WUCCLRPBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(OCC)C2)n[nH]1 ZINC001130209454 1201543143 /nfs/dbraw/zinc/54/31/43/1201543143.db2.gz AVYMBMSSTQVZKA-WUCCLRPBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncc[nH]2)n1 ZINC001130213020 1201544952 /nfs/dbraw/zinc/54/49/52/1201544952.db2.gz PPFANKJNARAXNF-STQMWFEESA-N 1 1 359.434 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncc[nH]2)n[nH]1 ZINC001130213020 1201544959 /nfs/dbraw/zinc/54/49/59/1201544959.db2.gz PPFANKJNARAXNF-STQMWFEESA-N 1 1 359.434 0.886 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n[nH]1 ZINC001130202535 1201548868 /nfs/dbraw/zinc/54/88/68/1201548868.db2.gz AUXJAIPQELJUDB-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CCC2)n1 ZINC001130202535 1201548873 /nfs/dbraw/zinc/54/88/73/1201548873.db2.gz AUXJAIPQELJUDB-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2onc(C)c2C)n1 ZINC001130221059 1201551464 /nfs/dbraw/zinc/55/14/64/1201551464.db2.gz RLFLJQLXQVJSFZ-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2onc(C)c2C)n[nH]1 ZINC001130221059 1201551470 /nfs/dbraw/zinc/55/14/70/1201551470.db2.gz RLFLJQLXQVJSFZ-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n[nH]1 ZINC001130230154 1201557045 /nfs/dbraw/zinc/55/70/45/1201557045.db2.gz OQZPXRNBOISNOP-ILXRZTDVSA-N 1 1 363.462 0.457 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n1 ZINC001130230154 1201557047 /nfs/dbraw/zinc/55/70/47/1201557047.db2.gz OQZPXRNBOISNOP-ILXRZTDVSA-N 1 1 363.462 0.457 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2cncnc2)[nH]1 ZINC001130234657 1201558309 /nfs/dbraw/zinc/55/83/09/1201558309.db2.gz GREMQUPQBKZLOQ-QEJZJMRPSA-N 1 1 369.429 0.110 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CCC2)[nH]1 ZINC001130234708 1201558980 /nfs/dbraw/zinc/55/89/80/1201558980.db2.gz ISMCXXLTLITNBS-RYUDHWBXSA-N 1 1 367.400 0.952 20 30 FCEDMO C=CCCC1(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)CC1 ZINC001130234908 1201559538 /nfs/dbraw/zinc/55/95/38/1201559538.db2.gz OTRKHEOZTABKLT-KBPBESRZSA-N 1 1 363.462 0.622 20 30 FCEDMO C=CCCC1(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)CC1 ZINC001130234908 1201559539 /nfs/dbraw/zinc/55/95/39/1201559539.db2.gz OTRKHEOZTABKLT-KBPBESRZSA-N 1 1 363.462 0.622 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)nc2C)[nH]1 ZINC001130238212 1201561066 /nfs/dbraw/zinc/56/10/66/1201561066.db2.gz ZGJYMAJJNDKDID-STQMWFEESA-N 1 1 357.418 0.170 20 30 FCEDMO C=CCC(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130240719 1201561729 /nfs/dbraw/zinc/56/17/29/1201561729.db2.gz ZEAOREPOYLPYPU-IHRRRGAJSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CCC(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130240719 1201561734 /nfs/dbraw/zinc/56/17/34/1201561734.db2.gz ZEAOREPOYLPYPU-IHRRRGAJSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnn2)n1 ZINC001130242275 1201563148 /nfs/dbraw/zinc/56/31/48/1201563148.db2.gz PFTVNNOVHSTKDS-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnn2)n[nH]1 ZINC001130242275 1201563154 /nfs/dbraw/zinc/56/31/54/1201563154.db2.gz PFTVNNOVHSTKDS-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccn2)n1 ZINC001130247035 1201567387 /nfs/dbraw/zinc/56/73/87/1201567387.db2.gz RILZKBZWNGLJNS-STQMWFEESA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccn2)n[nH]1 ZINC001130247035 1201567391 /nfs/dbraw/zinc/56/73/91/1201567391.db2.gz RILZKBZWNGLJNS-STQMWFEESA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130253652 1201571172 /nfs/dbraw/zinc/57/11/72/1201571172.db2.gz IQSJNZQIGXAJFO-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130253652 1201571178 /nfs/dbraw/zinc/57/11/78/1201571178.db2.gz IQSJNZQIGXAJFO-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](O)C1 ZINC001219923900 1224683759 /nfs/dbraw/zinc/68/37/59/1224683759.db2.gz HAWKPTSWELAYJF-MJBXVCDLSA-N 1 1 360.418 0.449 20 30 FCEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130298771 1201580106 /nfs/dbraw/zinc/58/01/06/1201580106.db2.gz GAKQBXMLXXNASH-LJHODMEESA-N 1 1 364.490 0.549 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001130422858 1201589767 /nfs/dbraw/zinc/58/97/67/1201589767.db2.gz BSMNDZYZZVGWAM-IIAWOOMASA-N 1 1 357.458 0.611 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001130422858 1201589773 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371.441 0.839 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130664162 1202747516 /nfs/dbraw/zinc/74/75/16/1202747516.db2.gz KCESSWHPFJMXMS-DOTOQJQBSA-N 1 1 357.462 0.989 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)cn3)n[nH]2)O1 ZINC001130753028 1202776672 /nfs/dbraw/zinc/77/66/72/1202776672.db2.gz NIWCCFOATZNVNS-GXTWGEPZSA-N 1 1 355.402 0.276 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)noc3C)n[nH]2)O1 ZINC001130756748 1202779681 /nfs/dbraw/zinc/77/96/81/1202779681.db2.gz YKYQFOTUNFVMJQ-QWHCGFSZSA-N 1 1 358.402 0.782 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)on3)n[nH]2)O1 ZINC001130758051 1202780630 /nfs/dbraw/zinc/78/06/30/1202780630.db2.gz OWGNVVJKVQIISA-GXTWGEPZSA-N 1 1 358.402 0.864 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cccn3)n[nH]2)O1 ZINC001130759791 1202782035 /nfs/dbraw/zinc/78/20/35/1202782035.db2.gz LVCINXIKDMDQJS-UONOGXRCSA-N 1 1 357.418 0.151 20 30 FCEDMO 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C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001112027379 1221206002 /nfs/dbraw/zinc/20/60/02/1221206002.db2.gz FXCUIEZFRWBEPT-QOKNQOGYSA-N 1 1 357.458 0.244 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2cnn(C)c2)C1 ZINC001112027379 1221206007 /nfs/dbraw/zinc/20/60/07/1221206007.db2.gz FXCUIEZFRWBEPT-QOKNQOGYSA-N 1 1 357.458 0.244 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C(F)(F)F ZINC001112057865 1221207187 /nfs/dbraw/zinc/20/71/87/1221207187.db2.gz PZUXMENGULECNB-NQBHXWOUSA-N 1 1 371.363 0.449 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C(F)(F)F ZINC001112057865 1221207195 /nfs/dbraw/zinc/20/71/95/1221207195.db2.gz PZUXMENGULECNB-NQBHXWOUSA-N 1 1 371.363 0.449 20 30 FCEDMO N#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1C(F)(F)F ZINC001112081958 1221208240 /nfs/dbraw/zinc/20/82/40/1221208240.db2.gz TYKLYEFUUWXBMU-GHMZBOCLSA-N 1 1 371.319 0.019 20 30 FCEDMO 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C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CNC(=O)[C@H](C)CC)C[C@@H]1n1ccnn1 ZINC001130125356 848948548 /nfs/dbraw/zinc/94/85/48/848948548.db2.gz JBWVMWJUHPRIKX-BNOWGMLFSA-N 1 1 368.869 0.534 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCOCCOC)C[C@@H]1n1ccnn1 ZINC001130148176 848952267 /nfs/dbraw/zinc/95/22/67/848952267.db2.gz JCDRYHXKSXUPBH-KGLIPLIRSA-N 1 1 357.842 0.425 20 30 FCEDMO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001130151422 848954112 /nfs/dbraw/zinc/95/41/12/848954112.db2.gz QIVHIMZZZYGURG-YUELXQCFSA-N 1 1 362.459 0.867 20 30 FCEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC)n1 ZINC001130172998 848956156 /nfs/dbraw/zinc/95/61/56/848956156.db2.gz AIDLZMJVLXBMHF-RDBSUJKOSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC)n[nH]1 ZINC001130172998 848956167 /nfs/dbraw/zinc/95/61/67/848956167.db2.gz AIDLZMJVLXBMHF-RDBSUJKOSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CSC)[nH]1 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C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(C)(C)C#N ZINC000433316218 489876550 /nfs/dbraw/zinc/87/65/50/489876550.db2.gz HFOKOIFSVRGIPE-UHFFFAOYSA-N 1 1 366.487 0.864 20 30 FCEDMO C[C@H]1[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCC[N@H+]1C ZINC000460672743 489878023 /nfs/dbraw/zinc/87/80/23/489878023.db2.gz DSUFKDVSNGXKGC-WFASDCNBSA-N 1 1 367.413 0.676 20 30 FCEDMO Cn1ncc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1C#N ZINC000476392183 489884529 /nfs/dbraw/zinc/88/45/29/489884529.db2.gz VLYCHKZVOAHDGU-RDJZCZTQSA-N 1 1 353.426 0.905 20 30 FCEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434796222 489958272 /nfs/dbraw/zinc/95/82/72/489958272.db2.gz TVFMFTZSKZCZGG-DNVCBOLYSA-N 1 1 359.426 0.829 20 30 FCEDMO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3nc(N)ns3)CC2)cc1 ZINC000440564889 490049122 /nfs/dbraw/zinc/04/91/22/490049122.db2.gz QIONIFCIDSWYMK-UHFFFAOYSA-N 1 1 357.443 1.143 20 30 FCEDMO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000378426530 490062409 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358.442 0.632 20 30 FCEDMO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556171780 491300585 /nfs/dbraw/zinc/30/05/85/491300585.db2.gz XBVNKCIGUGVDCI-UHFFFAOYSA-N 1 1 371.485 0.660 20 30 FCEDMO C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000520516678 490156728 /nfs/dbraw/zinc/15/67/28/490156728.db2.gz MUEYFBLDYQWDCY-CYBMUJFWSA-N 1 1 364.446 0.590 20 30 FCEDMO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ncc1C#N ZINC000520836557 490196072 /nfs/dbraw/zinc/19/60/72/490196072.db2.gz SKGGUPYYSNPWTN-ZDUSSCGKSA-N 1 1 359.430 0.504 20 30 FCEDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ncc1C#N ZINC000520836557 490196077 /nfs/dbraw/zinc/19/60/77/490196077.db2.gz SKGGUPYYSNPWTN-ZDUSSCGKSA-N 1 1 359.430 0.504 20 30 FCEDMO N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408028846 490216592 /nfs/dbraw/zinc/21/65/92/490216592.db2.gz RAYSMCFDWASHSO-SFHVURJKSA-N 1 1 357.433 0.736 20 30 FCEDMO N#CCCN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 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CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000409491234 528707402 /nfs/dbraw/zinc/70/74/02/528707402.db2.gz NQOITWUSVNQWGQ-ZIAGYGMSSA-N 1 1 360.480 0.282 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000409491234 528707410 /nfs/dbraw/zinc/70/74/10/528707410.db2.gz NQOITWUSVNQWGQ-ZIAGYGMSSA-N 1 1 360.480 0.282 20 30 FCEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261824700 528817541 /nfs/dbraw/zinc/81/75/41/528817541.db2.gz UXUIDFXUZFZRPR-QGZVFWFLSA-N 1 1 361.450 0.494 20 30 FCEDMO CCNC(=O)N1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000331187451 528824466 /nfs/dbraw/zinc/82/44/66/528824466.db2.gz JWIQNDXJIKHSKY-UHFFFAOYSA-N 1 1 353.345 0.521 20 30 FCEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000180688100 528900109 /nfs/dbraw/zinc/90/01/09/528900109.db2.gz SKCJSWFWPRRHGU-ROUUACIJSA-N 1 1 363.506 0.085 20 30 FCEDMO CCN1CCCC[C@H]1CNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261623015 529007484 /nfs/dbraw/zinc/00/74/84/529007484.db2.gz BPRLLBBUIYYZFW-HNNXBMFYSA-N 1 1 361.494 0.519 20 30 FCEDMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000453706736 535306383 /nfs/dbraw/zinc/30/63/83/535306383.db2.gz AJESQFWHTJIXOJ-UHFFFAOYSA-N 1 1 365.821 0.460 20 30 FCEDMO COc1ccc(C#N)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440480856 536646591 /nfs/dbraw/zinc/64/65/91/536646591.db2.gz LKHYGFXTVFJWHV-CVEARBPZSA-N 1 1 365.455 0.154 20 30 FCEDMO Cc1nc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cn1C ZINC000328836409 546524995 /nfs/dbraw/zinc/52/49/95/546524995.db2.gz XMNVPRZMBWHTEK-GFCCVEGCSA-N 1 1 357.480 0.695 20 30 FCEDMO CO[C@H]1C[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)[N@H+](C)C1 ZINC000329020457 546531258 /nfs/dbraw/zinc/53/12/58/546531258.db2.gz LUGOTMXPYYQONW-RYUDHWBXSA-N 1 1 351.494 0.041 20 30 FCEDMO CO[C@H]1C[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)[N@@H+](C)C1 ZINC000329020457 546531259 /nfs/dbraw/zinc/53/12/59/546531259.db2.gz LUGOTMXPYYQONW-RYUDHWBXSA-N 1 1 351.494 0.041 20 30 FCEDMO Cc1cc(C#N)cnc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000551738445 546536848 /nfs/dbraw/zinc/53/68/48/546536848.db2.gz IULSRSXIRWLLHI-CQSZACIVSA-N 1 1 350.444 0.453 20 30 FCEDMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCCNC1=O ZINC000329401366 546554113 /nfs/dbraw/zinc/55/41/13/546554113.db2.gz YZIIVPYNFQVUCH-KBPBESRZSA-N 1 1 352.435 0.775 20 30 FCEDMO Cc1ncc(CN2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)s1 ZINC000329484608 546555673 /nfs/dbraw/zinc/55/56/73/546555673.db2.gz SJPAQWUCTZEAEP-HNNXBMFYSA-N 1 1 366.535 0.729 20 30 FCEDMO CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)N(C)C2)CC1 ZINC000329646017 546559813 /nfs/dbraw/zinc/55/98/13/546559813.db2.gz AXEDXLYISIOUEB-CQSZACIVSA-N 1 1 353.467 0.942 20 30 FCEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000330243446 546591469 /nfs/dbraw/zinc/59/14/69/546591469.db2.gz WVGGTZZNUATAAK-LBPRGKRZSA-N 1 1 353.496 1.031 20 30 FCEDMO COCCN(C)S(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593667986 546988061 /nfs/dbraw/zinc/98/80/61/546988061.db2.gz AAOUOUHYBREXDB-UHFFFAOYSA-N 1 1 366.487 0.935 20 30 FCEDMO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1=O ZINC000548732128 547063117 /nfs/dbraw/zinc/06/31/17/547063117.db2.gz KGBHHFDOOLURDR-LBPRGKRZSA-N 1 1 350.419 0.200 20 30 FCEDMO N#Cc1ccc(OCC[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822833863 599383578 /nfs/dbraw/zinc/38/35/78/599383578.db2.gz YCJDPUQYNNXUEP-INIZCTEOSA-N 1 1 363.381 0.933 20 30 FCEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000820016949 606699324 /nfs/dbraw/zinc/69/93/24/606699324.db2.gz RFDKBQRKDJUTPE-INIZCTEOSA-N 1 1 374.453 0.091 20 30 FCEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000804777729 663238270 /nfs/dbraw/zinc/23/82/70/663238270.db2.gz JMYFEHIZTPNUOH-ZDUSSCGKSA-N 1 1 364.471 0.716 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001023633016 663661735 /nfs/dbraw/zinc/66/17/35/663661735.db2.gz NSHYZFRZOVQYEX-OWCLPIDISA-N 1 1 361.467 0.456 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccsc2C)C1 ZINC001023633016 663661736 /nfs/dbraw/zinc/66/17/36/663661736.db2.gz NSHYZFRZOVQYEX-OWCLPIDISA-N 1 1 361.467 0.456 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001025790748 664190869 /nfs/dbraw/zinc/19/08/69/664190869.db2.gz LKXCLZZXWXUFBN-FFRIZKCHSA-N 1 1 368.499 0.449 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001025790748 664190872 /nfs/dbraw/zinc/19/08/72/664190872.db2.gz LKXCLZZXWXUFBN-FFRIZKCHSA-N 1 1 368.499 0.449 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnn2)[C@@H]1CC ZINC000985048558 665129213 /nfs/dbraw/zinc/12/92/13/665129213.db2.gz KCPHVUXIXANGQC-CFVMTHIKSA-N 1 1 361.471 0.745 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2csnn2)[C@@H]1CC ZINC000985048558 665129215 /nfs/dbraw/zinc/12/92/15/665129215.db2.gz KCPHVUXIXANGQC-CFVMTHIKSA-N 1 1 361.471 0.745 20 30 FCEDMO C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000988632219 665301570 /nfs/dbraw/zinc/30/15/70/665301570.db2.gz XMVSEGFQSCGUIX-SQWLQELKSA-N 1 1 350.463 0.562 20 30 FCEDMO C[C@@H](C#N)C(=O)N1CCC(CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000988632219 665301572 /nfs/dbraw/zinc/30/15/72/665301572.db2.gz XMVSEGFQSCGUIX-SQWLQELKSA-N 1 1 350.463 0.562 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000905571177 666028858 /nfs/dbraw/zinc/02/88/58/666028858.db2.gz NUYXMRBKJIVZSZ-CQSZACIVSA-N 1 1 366.512 0.396 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000905571177 666028861 /nfs/dbraw/zinc/02/88/61/666028861.db2.gz NUYXMRBKJIVZSZ-CQSZACIVSA-N 1 1 366.512 0.396 20 30 FCEDMO C#CC[N@@H+](C)CCCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000908435929 666207691 /nfs/dbraw/zinc/20/76/91/666207691.db2.gz LUVDCVUOFLMNSC-UHFFFAOYSA-N 1 1 355.485 0.497 20 30 FCEDMO C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000909239931 666228877 /nfs/dbraw/zinc/22/88/77/666228877.db2.gz JEFSLOSWRXCRFC-ZDUSSCGKSA-N 1 1 370.523 0.995 20 30 FCEDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000913539280 666533361 /nfs/dbraw/zinc/53/33/61/666533361.db2.gz MFBKCQISFMJXIT-GASCZTMLSA-N 1 1 362.455 0.797 20 30 FCEDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000913539280 666533362 /nfs/dbraw/zinc/53/33/62/666533362.db2.gz MFBKCQISFMJXIT-GASCZTMLSA-N 1 1 362.455 0.797 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC000992244639 666628168 /nfs/dbraw/zinc/62/81/68/666628168.db2.gz YUDSFAUJMVTJPW-DLTWYDFYSA-N 1 1 356.488 0.735 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC000992244639 666628173 /nfs/dbraw/zinc/62/81/73/666628173.db2.gz YUDSFAUJMVTJPW-DLTWYDFYSA-N 1 1 356.488 0.735 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)nc2I)C1 ZINC000923596337 666641845 /nfs/dbraw/zinc/64/18/45/666641845.db2.gz FRLXJKBXZDBYPB-JTQLQIEISA-N 1 1 372.210 0.852 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2I)C1 ZINC000923596337 666641846 /nfs/dbraw/zinc/64/18/46/666641846.db2.gz FRLXJKBXZDBYPB-JTQLQIEISA-N 1 1 372.210 0.852 20 30 FCEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1C#N ZINC000919296329 667165687 /nfs/dbraw/zinc/16/56/87/667165687.db2.gz IANWBVFPOQZFBT-UHFFFAOYSA-N 1 1 354.407 0.092 20 30 FCEDMO Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000919305636 667167060 /nfs/dbraw/zinc/16/70/60/667167060.db2.gz SVLWFNUGERIALB-UHFFFAOYSA-N 1 1 350.444 0.261 20 30 FCEDMO C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCN1C ZINC000919981571 667213695 /nfs/dbraw/zinc/21/36/95/667213695.db2.gz NRKDODKNJMUKPJ-BLLLJJGKSA-N 1 1 354.451 0.751 20 30 FCEDMO C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCN1C ZINC000919981571 667213699 /nfs/dbraw/zinc/21/36/99/667213699.db2.gz NRKDODKNJMUKPJ-BLLLJJGKSA-N 1 1 354.451 0.751 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001003651898 667622872 /nfs/dbraw/zinc/62/28/72/667622872.db2.gz JIGKKLGIYAMDOQ-OIISXLGYSA-N 1 1 370.515 0.983 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000923565611 667849679 /nfs/dbraw/zinc/84/96/79/667849679.db2.gz JBSMYXBCDHVYQD-INIZCTEOSA-N 1 1 363.483 0.741 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)NCC)cc2)C1 ZINC000923565611 667849685 /nfs/dbraw/zinc/84/96/85/667849685.db2.gz JBSMYXBCDHVYQD-INIZCTEOSA-N 1 1 363.483 0.741 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000923569286 667849726 /nfs/dbraw/zinc/84/97/26/667849726.db2.gz LCGBSTRGMKDXTE-GJZGRUSLSA-N 1 1 351.447 0.836 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000923569286 667849728 /nfs/dbraw/zinc/84/97/28/667849728.db2.gz LCGBSTRGMKDXTE-GJZGRUSLSA-N 1 1 351.447 0.836 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CC#C)C2)cc1 ZINC000923589438 667852903 /nfs/dbraw/zinc/85/29/03/667852903.db2.gz RHXVXIOOSZJGJB-INIZCTEOSA-N 1 1 359.451 0.426 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)cc1 ZINC000923589438 667852906 /nfs/dbraw/zinc/85/29/06/667852906.db2.gz RHXVXIOOSZJGJB-INIZCTEOSA-N 1 1 359.451 0.426 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000923592425 667854053 /nfs/dbraw/zinc/85/40/53/667854053.db2.gz OHJMPRMQLNOGPF-MRXNPFEDSA-N 1 1 361.467 0.836 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1 ZINC000923592425 667854054 /nfs/dbraw/zinc/85/40/54/667854054.db2.gz OHJMPRMQLNOGPF-MRXNPFEDSA-N 1 1 361.467 0.836 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)C1 ZINC000923585175 667854769 /nfs/dbraw/zinc/85/47/69/667854769.db2.gz VEYFBLPVVMDELN-QSJFSLAZSA-N 1 1 364.515 0.926 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)C1 ZINC000923585175 667854774 /nfs/dbraw/zinc/85/47/74/667854774.db2.gz VEYFBLPVVMDELN-QSJFSLAZSA-N 1 1 364.515 0.926 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)CCC)C1 ZINC000923585058 667854858 /nfs/dbraw/zinc/85/48/58/667854858.db2.gz IVTHZDWCOQZMLN-JKSUJKDBSA-N 1 1 355.504 0.795 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)CCC)C1 ZINC000923585058 667854863 /nfs/dbraw/zinc/85/48/63/667854863.db2.gz IVTHZDWCOQZMLN-JKSUJKDBSA-N 1 1 355.504 0.795 20 30 FCEDMO C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000838623261 667946347 /nfs/dbraw/zinc/94/63/47/667946347.db2.gz XVGKCDQRTYGPMF-JKSUJKDBSA-N 1 1 352.479 0.514 20 30 FCEDMO C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC000839245865 667984363 /nfs/dbraw/zinc/98/43/63/667984363.db2.gz DNWUBVUHLUFNHC-HNNXBMFYSA-N 1 1 350.463 0.174 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000742892053 668042685 /nfs/dbraw/zinc/04/26/85/668042685.db2.gz HZYISLYTRXDEKY-KRWDZBQOSA-N 1 1 363.483 0.829 20 30 FCEDMO 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C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@]2(C)CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129496300 1201334715 /nfs/dbraw/zinc/33/47/15/1201334715.db2.gz KDVHZWAFAAACSH-RVKKMQEKSA-N 1 1 360.462 0.645 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@@H]1n1ccnn1 ZINC001129864035 1201407872 /nfs/dbraw/zinc/40/78/72/1201407872.db2.gz NYPBNJJAUURZDO-CABCVRRESA-N 1 1 350.386 0.228 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001129834535 1201409923 /nfs/dbraw/zinc/40/99/23/1201409923.db2.gz YSEXIZSIEGPYHI-SJORKVTESA-N 1 1 353.430 0.722 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001129972740 1201459318 /nfs/dbraw/zinc/45/93/18/1201459318.db2.gz LJPWSHBDHOVEPJ-CVEARBPZSA-N 1 1 356.434 0.142 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnnn2CC)[C@@H](n2ccnn2)C1 ZINC001129986485 1201468364 /nfs/dbraw/zinc/46/83/64/1201468364.db2.gz BYPDEVWUEZFHNK-CVEARBPZSA-N 1 1 358.450 0.788 20 30 FCEDMO 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C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCC=C)[C@@H](n3ccnn3)C2)CC1 ZINC001130137264 1201514521 /nfs/dbraw/zinc/51/45/21/1201514521.db2.gz QGSSTWXEOKWBRC-MSOLQXFVSA-N 1 1 356.474 0.541 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)[C@@H](n2ccnn2)C1 ZINC001130150832 1201516783 /nfs/dbraw/zinc/51/67/83/1201516783.db2.gz BLXKTNPRPCTVSQ-IMJJTQAJSA-N 1 1 360.418 0.707 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccn2)[nH]1 ZINC001130177830 1201523404 /nfs/dbraw/zinc/52/34/04/1201523404.db2.gz WOKVRGDAYDMQQC-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncnc2C)[nH]1 ZINC001130187028 1201528031 /nfs/dbraw/zinc/52/80/31/1201528031.db2.gz SKMYEPNXIBEIKY-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]c(C)c2C)[nH]1 ZINC001130195806 1201531704 /nfs/dbraw/zinc/53/17/04/1201531704.db2.gz CZRFXSPLMZHHGK-STQMWFEESA-N 1 1 357.418 0.170 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(C)nc2C)n1 ZINC001130198351 1201533908 /nfs/dbraw/zinc/53/39/08/1201533908.db2.gz HKRUZHXNDRHIHB-JSGCOSHPSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(C)nc2C)n[nH]1 ZINC001130198351 1201533912 /nfs/dbraw/zinc/53/39/12/1201533912.db2.gz HKRUZHXNDRHIHB-JSGCOSHPSA-N 1 1 359.434 0.425 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)on2)n1 ZINC001130182797 1201534853 /nfs/dbraw/zinc/53/48/53/1201534853.db2.gz CEHTZEQMLDFPMN-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)on2)n[nH]1 ZINC001130182797 1201534858 /nfs/dbraw/zinc/53/48/58/1201534858.db2.gz CEHTZEQMLDFPMN-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)n2C)[nH]1 ZINC001130182950 1201535931 /nfs/dbraw/zinc/53/59/31/1201535931.db2.gz IDFKUGAIUFPSOW-HOCLYGCPSA-N 1 1 370.457 0.867 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOCC)n[nH]1 ZINC001130203236 1201539901 /nfs/dbraw/zinc/53/99/01/1201539901.db2.gz URSYJPNDYUBFHC-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOCC)n1 ZINC001130203236 1201539905 /nfs/dbraw/zinc/53/99/05/1201539905.db2.gz URSYJPNDYUBFHC-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(OC)no2)n1 ZINC001130204990 1201541115 /nfs/dbraw/zinc/54/11/15/1201541115.db2.gz OUZWNSSJYFRHNP-JQWIXIFHSA-N 1 1 362.390 0.379 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(OC)no2)n[nH]1 ZINC001130204990 1201541119 /nfs/dbraw/zinc/54/11/19/1201541119.db2.gz OUZWNSSJYFRHNP-JQWIXIFHSA-N 1 1 362.390 0.379 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130209462 1201543496 /nfs/dbraw/zinc/54/34/96/1201543496.db2.gz BEADIZXMUVYHTN-DCGLDWPTSA-N 1 1 369.441 0.570 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130209462 1201543501 /nfs/dbraw/zinc/54/35/01/1201543501.db2.gz BEADIZXMUVYHTN-DCGLDWPTSA-N 1 1 369.441 0.570 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 ZINC001130209719 1201544186 /nfs/dbraw/zinc/54/41/86/1201544186.db2.gz LPPHTLPIQFLJNA-OFQRWUPVSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](O)C(C)C)n[nH]1 ZINC001130209719 1201544190 /nfs/dbraw/zinc/54/41/90/1201544190.db2.gz LPPHTLPIQFLJNA-OFQRWUPVSA-N 1 1 365.478 0.866 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(CC)n2)[nH]1 ZINC001130220549 1201545075 /nfs/dbraw/zinc/54/50/75/1201545075.db2.gz CXZQZDKEHUMPTA-HOCLYGCPSA-N 1 1 368.441 0.787 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(CC)n2)n[nH]1 ZINC001130220549 1201545078 /nfs/dbraw/zinc/54/50/78/1201545078.db2.gz CXZQZDKEHUMPTA-HOCLYGCPSA-N 1 1 368.441 0.787 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CO[C@H](C)CC)n1 ZINC001130200487 1201547785 /nfs/dbraw/zinc/54/77/85/1201547785.db2.gz KZTCHMDDIQUDIQ-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CO[C@H](C)CC)n[nH]1 ZINC001130200487 1201547787 /nfs/dbraw/zinc/54/77/87/1201547787.db2.gz KZTCHMDDIQUDIQ-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2cncnc2)n1 ZINC001130222709 1201552494 /nfs/dbraw/zinc/55/24/94/1201552494.db2.gz AXENNLMRHZDWDJ-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2cncnc2)n[nH]1 ZINC001130222709 1201552498 /nfs/dbraw/zinc/55/24/98/1201552498.db2.gz AXENNLMRHZDWDJ-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[nH]1 ZINC001130224869 1201554243 /nfs/dbraw/zinc/55/42/43/1201554243.db2.gz GJRFSGJHQYSOPR-ZIUCBDDQSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C2CCC2)[nH]1 ZINC001130225064 1201554420 /nfs/dbraw/zinc/55/44/20/1201554420.db2.gz QMWFRXPMVJTVMY-DZKIICNBSA-N 1 1 361.446 0.331 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C2CCC2)n1 ZINC001130224974 1201554492 /nfs/dbraw/zinc/55/44/92/1201554492.db2.gz LGTHDXNBGOZIFK-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C2CCC2)n[nH]1 ZINC001130224974 1201554495 /nfs/dbraw/zinc/55/44/95/1201554495.db2.gz LGTHDXNBGOZIFK-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130229715 1201556067 /nfs/dbraw/zinc/55/60/67/1201556067.db2.gz BCTUPQLTUKBOSQ-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130229715 1201556070 /nfs/dbraw/zinc/55/60/70/1201556070.db2.gz BCTUPQLTUKBOSQ-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(F)CCOC2)n1 ZINC001130234643 1201558223 /nfs/dbraw/zinc/55/82/23/1201558223.db2.gz FYNVNSOBLHKUFV-DCGLDWPTSA-N 1 1 365.409 0.035 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(F)CCOC2)n[nH]1 ZINC001130234643 1201558225 /nfs/dbraw/zinc/55/82/25/1201558225.db2.gz FYNVNSOBLHKUFV-DCGLDWPTSA-N 1 1 365.409 0.035 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C(C)C)n1 ZINC001130234767 1201559283 /nfs/dbraw/zinc/55/92/83/1201559283.db2.gz KFZVPAFYPLMLQW-OFQRWUPVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C(C)C)n[nH]1 ZINC001130234767 1201559286 /nfs/dbraw/zinc/55/92/86/1201559286.db2.gz KFZVPAFYPLMLQW-OFQRWUPVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2CC)[nH]1 ZINC001130234911 1201559448 /nfs/dbraw/zinc/55/94/48/1201559448.db2.gz OWRHQPYWDGOPJL-AAEUAGOBSA-N 1 1 358.402 0.380 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccco2)[nH]1 ZINC001130238007 1201560791 /nfs/dbraw/zinc/56/07/91/1201560791.db2.gz NZHRGSORXLWCSN-YDHLFZDLSA-N 1 1 357.414 0.913 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnn2)n1 ZINC001130242444 1201562442 /nfs/dbraw/zinc/56/24/42/1201562442.db2.gz XKCSWYWZLXNHFM-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnn2)n[nH]1 ZINC001130242444 1201562446 /nfs/dbraw/zinc/56/24/46/1201562446.db2.gz XKCSWYWZLXNHFM-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[nH]1 ZINC001130244554 1201563324 /nfs/dbraw/zinc/56/33/24/1201563324.db2.gz JVGKEAWLQPIJGF-GJZGRUSLSA-N 1 1 354.414 0.533 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)n[nH]c2C)n1 ZINC001130244309 1201563534 /nfs/dbraw/zinc/56/35/34/1201563534.db2.gz GITNJVSHXCKSCK-STQMWFEESA-N 1 1 359.434 0.723 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)n[nH]c2C)n[nH]1 ZINC001130244309 1201563536 /nfs/dbraw/zinc/56/35/36/1201563536.db2.gz GITNJVSHXCKSCK-STQMWFEESA-N 1 1 359.434 0.723 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)n[nH]c2C)n1 ZINC001130245163 1201565171 /nfs/dbraw/zinc/56/51/71/1201565171.db2.gz URFDAVMQHNEHFA-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)n[nH]c2C)n[nH]1 ZINC001130245163 1201565176 /nfs/dbraw/zinc/56/51/76/1201565176.db2.gz URFDAVMQHNEHFA-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnc(C)n2)n1 ZINC001130249206 1201568254 /nfs/dbraw/zinc/56/82/54/1201568254.db2.gz PEUUDKFSQJISPP-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(C)n2)n[nH]1 ZINC001130249206 1201568261 /nfs/dbraw/zinc/56/82/61/1201568261.db2.gz PEUUDKFSQJISPP-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)n2)[nH]1 ZINC001130249238 1201569061 /nfs/dbraw/zinc/56/90/61/1201569061.db2.gz RJNNOKSAVXAHQV-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000805943358 1201591025 /nfs/dbraw/zinc/59/10/25/1201591025.db2.gz VBYMSVMLZJFMSC-BPQIPLTHSA-N 1 1 357.454 0.920 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001219951438 1224697747 /nfs/dbraw/zinc/69/77/47/1224697747.db2.gz KFVAJYRTJXLTHH-GLQYFDAESA-N 1 1 360.414 0.542 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(NC(C)=O)cc2)[C@@H](O)C1 ZINC001219955084 1224698363 /nfs/dbraw/zinc/69/83/63/1224698363.db2.gz GEAUXHRLNIRUGW-MSOLQXFVSA-N 1 1 361.442 0.551 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)[C@@H](O)C1 ZINC001219971942 1224708756 /nfs/dbraw/zinc/70/87/56/1224708756.db2.gz RKVXUVJXNBUOTG-SJORKVTESA-N 1 1 359.426 0.549 20 30 FCEDMO COCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC1 ZINC001220004004 1224724315 /nfs/dbraw/zinc/72/43/15/1224724315.db2.gz ALBWUFKBOVSHTJ-SJORKVTESA-N 1 1 359.426 0.677 20 30 FCEDMO COCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC1 ZINC001220004004 1224724319 /nfs/dbraw/zinc/72/43/19/1224724319.db2.gz ALBWUFKBOVSHTJ-SJORKVTESA-N 1 1 359.426 0.677 20 30 FCEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090486552 1202710546 /nfs/dbraw/zinc/71/05/46/1202710546.db2.gz MFQBWSCKPRZUPD-ARFHVFGLSA-N 1 1 361.446 0.230 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130578274 1202720971 /nfs/dbraw/zinc/72/09/71/1202720971.db2.gz FTIZZDOYTTXWRI-GOEBONIOSA-N 1 1 355.446 0.436 20 30 FCEDMO CCn1ncnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130583721 1202722806 /nfs/dbraw/zinc/72/28/06/1202722806.db2.gz NJTXKNDFXJFUKW-DOTOQJQBSA-N 1 1 369.473 0.775 20 30 FCEDMO COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593086 1202726414 /nfs/dbraw/zinc/72/64/14/1202726414.db2.gz OSONGZKUVIHENF-VXIBKDFQSA-N 1 1 373.501 0.294 20 30 FCEDMO COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593086 1202726419 /nfs/dbraw/zinc/72/64/19/1202726419.db2.gz OSONGZKUVIHENF-VXIBKDFQSA-N 1 1 373.501 0.294 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130635134 1202740158 /nfs/dbraw/zinc/74/01/58/1202740158.db2.gz KKAORVNZAHLYBI-FUHWJXTLSA-N 1 1 369.473 0.859 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130664506 1202747554 /nfs/dbraw/zinc/74/75/54/1202747554.db2.gz SBMZRMWTHKXQCG-DOTOQJQBSA-N 1 1 357.462 0.989 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCOCC3)n[nH]2)O1 ZINC001130754964 1202773400 /nfs/dbraw/zinc/77/34/00/1202773400.db2.gz RCKPNNHRWDHPAG-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)cn3)n[nH]2)O1 ZINC001130753191 1202776328 /nfs/dbraw/zinc/77/63/28/1202776328.db2.gz VZIQUHGTLHBKPN-GXTWGEPZSA-N 1 1 357.418 0.829 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2O)CCOCC1 ZINC001090493819 1202778451 /nfs/dbraw/zinc/77/84/51/1202778451.db2.gz ZXPLOTUZMYRJDP-HZPDHXFCSA-N 1 1 358.442 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3C)n[nH]2)O1 ZINC001130762583 1202778893 /nfs/dbraw/zinc/77/88/93/1202778893.db2.gz XXTDYDTWOHFELM-GXTWGEPZSA-N 1 1 357.418 0.301 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H]3CCCO3)n[nH]2)O1 ZINC001130757918 1202780465 /nfs/dbraw/zinc/78/04/65/1202780465.db2.gz LSUOIRPBPVOLQZ-QLFBSQMISA-N 1 1 361.446 0.823 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)nn3C)n[nH]2)O1 ZINC001130760080 1202781879 /nfs/dbraw/zinc/78/18/79/1202781879.db2.gz WYCXBQRMTAMJIH-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c(=O)c3)n[nH]2)O1 ZINC001130775292 1202783035 /nfs/dbraw/zinc/78/30/35/1202783035.db2.gz QRKDVZCKULAWJF-UONOGXRCSA-N 1 1 370.413 0.668 20 30 FCEDMO 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C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1C ZINC000949316918 1212353405 /nfs/dbraw/zinc/35/34/05/1212353405.db2.gz OVDOYTFIUACLFB-BMFZPTHFSA-N 1 1 371.441 0.160 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1C ZINC000949316918 1212353410 /nfs/dbraw/zinc/35/34/10/1212353410.db2.gz OVDOYTFIUACLFB-BMFZPTHFSA-N 1 1 371.441 0.160 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cnccn2)C1 ZINC001006953754 1212373473 /nfs/dbraw/zinc/37/34/73/1212373473.db2.gz QGBGGTGLNWIYFE-KNBMTAEXSA-N 1 1 367.453 0.685 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cnccn2)C1 ZINC001006953754 1212373479 /nfs/dbraw/zinc/37/34/79/1212373479.db2.gz QGBGGTGLNWIYFE-KNBMTAEXSA-N 1 1 367.453 0.685 20 30 FCEDMO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC000949437308 1212381971 /nfs/dbraw/zinc/38/19/71/1212381971.db2.gz HYDRRROQIHRGNA-UKRRQHHQSA-N 1 1 371.445 0.636 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NCCC)C2 ZINC001111290545 1212426624 /nfs/dbraw/zinc/42/66/24/1212426624.db2.gz FAUSPLHEBMDGIH-FPCVCCKLSA-N 1 1 362.474 0.152 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=O)NCCC)C2 ZINC001111290545 1212426630 /nfs/dbraw/zinc/42/66/30/1212426630.db2.gz FAUSPLHEBMDGIH-FPCVCCKLSA-N 1 1 362.474 0.152 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2cc[nH]n2)C1 ZINC001007221132 1212428432 /nfs/dbraw/zinc/42/84/32/1212428432.db2.gz PKGHFMDOBZBGMZ-KNBMTAEXSA-N 1 1 369.469 0.547 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2cc[nH]n2)C1 ZINC001007221132 1212428436 /nfs/dbraw/zinc/42/84/36/1212428436.db2.gz PKGHFMDOBZBGMZ-KNBMTAEXSA-N 1 1 369.469 0.547 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001221562044 1225368743 /nfs/dbraw/zinc/36/87/43/1225368743.db2.gz IMPBAVNIFFHOLU-YZLZLFLDSA-N 1 1 361.486 0.980 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC001221562044 1225368747 /nfs/dbraw/zinc/36/87/47/1225368747.db2.gz IMPBAVNIFFHOLU-YZLZLFLDSA-N 1 1 361.486 0.980 20 30 FCEDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCNc1ncccc1C#N ZINC000779334583 1212499246 /nfs/dbraw/zinc/49/92/46/1212499246.db2.gz MEUKRJWJPQAOKF-UHFFFAOYSA-N 1 1 359.478 0.644 20 30 FCEDMO COCC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001221570175 1225375666 /nfs/dbraw/zinc/37/56/66/1225375666.db2.gz XBJVPMMPBVABFS-ZTFGCOKTSA-N 1 1 370.453 0.742 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CC[NH+]1CCOCC1 ZINC000950230820 1212535746 /nfs/dbraw/zinc/53/57/46/1212535746.db2.gz MUYVVDXYWGWWJA-ZACQAIPSSA-N 1 1 365.474 0.407 20 30 FCEDMO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221575067 1225377215 /nfs/dbraw/zinc/37/72/15/1225377215.db2.gz XRHXARKHZOHHAB-HZPDHXFCSA-N 1 1 360.458 0.839 20 30 FCEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000950382223 1212564250 /nfs/dbraw/zinc/56/42/50/1212564250.db2.gz HWHHEGYQNHVUEO-BFYDXBDKSA-N 1 1 360.458 0.581 20 30 FCEDMO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000950382223 1212564253 /nfs/dbraw/zinc/56/42/53/1212564253.db2.gz HWHHEGYQNHVUEO-BFYDXBDKSA-N 1 1 360.458 0.581 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3ccn(C)n3)[C@@H]2C1 ZINC001221582434 1225380209 /nfs/dbraw/zinc/38/02/09/1225380209.db2.gz QVNBZFBAPWQMGU-BFYDXBDKSA-N 1 1 357.458 0.023 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccn(C)n3)[C@@H]2C1 ZINC001221582434 1225380215 /nfs/dbraw/zinc/38/02/15/1225380215.db2.gz QVNBZFBAPWQMGU-BFYDXBDKSA-N 1 1 357.458 0.023 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3cnn[nH]3)C2)CC1 ZINC001007761891 1212573292 /nfs/dbraw/zinc/57/32/92/1212573292.db2.gz DNWLYQXDPKDCON-KXBFYZLASA-N 1 1 370.457 0.261 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1)C2 ZINC001111317828 1212606146 /nfs/dbraw/zinc/60/61/46/1212606146.db2.gz RISWTRPVXWZNGI-IDCNUPLLSA-N 1 1 355.438 0.925 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COc1ccccc1)C2 ZINC001111317828 1212606151 /nfs/dbraw/zinc/60/61/51/1212606151.db2.gz RISWTRPVXWZNGI-IDCNUPLLSA-N 1 1 355.438 0.925 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncnc2C)C1 ZINC000950644970 1212619759 /nfs/dbraw/zinc/61/97/59/1212619759.db2.gz BCGASTAQKCSEIX-XYPHTWIQSA-N 1 1 355.442 0.459 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cncnc2C)C1 ZINC000950644970 1212619765 /nfs/dbraw/zinc/61/97/65/1212619765.db2.gz BCGASTAQKCSEIX-XYPHTWIQSA-N 1 1 355.442 0.459 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000950645450 1212620834 /nfs/dbraw/zinc/62/08/34/1212620834.db2.gz YIVVNPRQIQQCDF-XYPHTWIQSA-N 1 1 355.442 0.459 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC000950645450 1212620838 /nfs/dbraw/zinc/62/08/38/1212620838.db2.gz YIVVNPRQIQQCDF-XYPHTWIQSA-N 1 1 355.442 0.459 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccnn2CCC)C1 ZINC000950648363 1212621238 /nfs/dbraw/zinc/62/12/38/1212621238.db2.gz LJXNQCQSRXLATN-NUJGCVRESA-N 1 1 371.485 0.967 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccnn2CCC)C1 ZINC000950648363 1212621242 /nfs/dbraw/zinc/62/12/42/1212621242.db2.gz LJXNQCQSRXLATN-NUJGCVRESA-N 1 1 371.485 0.967 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3cc[nH]c13)C2 ZINC001111319944 1212640863 /nfs/dbraw/zinc/64/08/63/1212640863.db2.gz NWAHOAFYZWDQST-MXYBEHONSA-N 1 1 356.430 0.688 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3cc[nH]c13)C2 ZINC001111319944 1212640866 /nfs/dbraw/zinc/64/08/66/1212640866.db2.gz NWAHOAFYZWDQST-MXYBEHONSA-N 1 1 356.430 0.688 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H](C)c1nccn1C)C2 ZINC001111329307 1212649932 /nfs/dbraw/zinc/64/99/32/1212649932.db2.gz VWWYTQIZHNJZHZ-HZMVEIRTSA-N 1 1 360.458 0.869 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CO[C@@H](C)c1nccn1C)C2 ZINC001111329307 1212649934 /nfs/dbraw/zinc/64/99/34/1212649934.db2.gz VWWYTQIZHNJZHZ-HZMVEIRTSA-N 1 1 360.458 0.869 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN(C)C(C)=O)C2 ZINC001111332014 1212651108 /nfs/dbraw/zinc/65/11/08/1212651108.db2.gz QKDBTPMXDWHDDQ-SVGFKBNWSA-N 1 1 364.490 0.657 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCN(C)C(C)=O)C2 ZINC001111332014 1212651110 /nfs/dbraw/zinc/65/11/10/1212651110.db2.gz QKDBTPMXDWHDDQ-SVGFKBNWSA-N 1 1 364.490 0.657 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3(COC)CCCC3)[C@@H]2C1 ZINC001221602438 1225390680 /nfs/dbraw/zinc/39/06/80/1225390680.db2.gz FPCICZCNVXQGER-GVDBMIGSSA-N 1 1 361.486 0.864 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(COC)CCCC3)[C@@H]2C1 ZINC001221602438 1225390683 /nfs/dbraw/zinc/39/06/83/1225390683.db2.gz FPCICZCNVXQGER-GVDBMIGSSA-N 1 1 361.486 0.864 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncn1C)C2 ZINC001111337949 1212711887 /nfs/dbraw/zinc/71/18/87/1212711887.db2.gz DNZDJJHKFBMOSZ-ABFRBSLYSA-N 1 1 357.458 0.212 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncn1C)C2 ZINC001111337949 1212711889 /nfs/dbraw/zinc/71/18/89/1212711889.db2.gz DNZDJJHKFBMOSZ-ABFRBSLYSA-N 1 1 357.458 0.212 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001008544637 1212713548 /nfs/dbraw/zinc/71/35/48/1212713548.db2.gz BQWYUVMNWGGEIN-UAGQMJEPSA-N 1 1 356.426 0.791 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc[nH]n1)C2 ZINC001009056200 1212792245 /nfs/dbraw/zinc/79/22/45/1212792245.db2.gz YXYCHMHKVYWHNO-KNBMTAEXSA-N 1 1 369.469 0.866 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1cc[nH]n1)C2 ZINC001009056200 1212792256 /nfs/dbraw/zinc/79/22/56/1212792256.db2.gz YXYCHMHKVYWHNO-KNBMTAEXSA-N 1 1 369.469 0.866 20 30 FCEDMO COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC001221623525 1225403202 /nfs/dbraw/zinc/40/32/02/1225403202.db2.gz PCWYHEXUHVYICD-ATZDWAIDSA-N 1 1 367.449 0.696 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)c4ccccc43)[C@@H]2C1 ZINC001221623525 1225403203 /nfs/dbraw/zinc/40/32/03/1225403203.db2.gz PCWYHEXUHVYICD-ATZDWAIDSA-N 1 1 367.449 0.696 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC(C)C)C[C@H]21 ZINC001221626202 1225404133 /nfs/dbraw/zinc/40/41/33/1225404133.db2.gz VMTQSNLNZVHHOM-FGTMMUONSA-N 1 1 360.502 0.389 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC(C)C)C[C@H]21 ZINC001221626202 1225404135 /nfs/dbraw/zinc/40/41/35/1225404135.db2.gz VMTQSNLNZVHHOM-FGTMMUONSA-N 1 1 360.502 0.389 20 30 FCEDMO 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FCKFLBPRVSGDKZ-UHFFFAOYSA-N 1 1 374.445 0.890 20 30 FCEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1F ZINC001162440484 1223215554 /nfs/dbraw/zinc/21/55/54/1223215554.db2.gz RYRXYZYTFVSLJE-ILXRZTDVSA-N 1 1 374.811 0.305 20 30 FCEDMO CCOC(=O)c1cnc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)c(C#N)c1 ZINC001163116643 1223226077 /nfs/dbraw/zinc/22/60/77/1223226077.db2.gz VVPWCKAFIXCBTL-UHFFFAOYSA-N 1 1 368.397 0.792 20 30 FCEDMO CCc1nc(C#N)c(C#N)nc1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001165085603 1223241543 /nfs/dbraw/zinc/24/15/43/1223241543.db2.gz KPNZSDIZDGTTMG-UHFFFAOYSA-N 1 1 367.457 0.773 20 30 FCEDMO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CNC(N)=O)C1 ZINC001205079818 1223307351 /nfs/dbraw/zinc/30/73/51/1223307351.db2.gz NZBCUXHZPDESAM-IAGOWNOFSA-N 1 1 360.458 0.695 20 30 FCEDMO C[C@H](C#N)C(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1O ZINC001205110038 1223308978 /nfs/dbraw/zinc/30/89/78/1223308978.db2.gz OZJPKAAVHHBIEY-KBAYOESNSA-N 1 1 368.441 0.512 20 30 FCEDMO C[C@H](C#N)C(=O)N(Cc1ccccc1)[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O ZINC001205110038 1223308981 /nfs/dbraw/zinc/30/89/81/1223308981.db2.gz OZJPKAAVHHBIEY-KBAYOESNSA-N 1 1 368.441 0.512 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H](C)n2cncn2)C1 ZINC001205122627 1223310437 /nfs/dbraw/zinc/31/04/37/1223310437.db2.gz RVSSAVWBXFXTAT-KBAYOESNSA-N 1 1 353.426 0.546 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H](C)n2cncn2)C1 ZINC001205122627 1223310440 /nfs/dbraw/zinc/31/04/40/1223310440.db2.gz RVSSAVWBXFXTAT-KBAYOESNSA-N 1 1 353.426 0.546 20 30 FCEDMO C#CCNC(=O)CC(=O)N(Cc1ccccc1)[C@@H]1C[N@H+](CCC=C)C[C@H]1O ZINC001205126662 1223310462 /nfs/dbraw/zinc/31/04/62/1223310462.db2.gz PZISDUVAMWPKQO-RTBURBONSA-N 1 1 369.465 0.776 20 30 FCEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CN2CN=NC2=O)C1 ZINC001205126982 1223310741 /nfs/dbraw/zinc/31/07/41/1223310741.db2.gz WGOSFVJNBSJLOI-HZPDHXFCSA-N 1 1 357.414 0.244 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CN2CN=NC2=O)C1 ZINC001205126982 1223310745 /nfs/dbraw/zinc/31/07/45/1223310745.db2.gz WGOSFVJNBSJLOI-HZPDHXFCSA-N 1 1 357.414 0.244 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2ccnn2C)C1 ZINC001205132021 1223311081 /nfs/dbraw/zinc/31/10/81/1223311081.db2.gz HGGBQOIIPQGLRY-RTBURBONSA-N 1 1 352.438 0.670 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cc2ccnn2C)C1 ZINC001205132021 1223311087 /nfs/dbraw/zinc/31/10/87/1223311087.db2.gz HGGBQOIIPQGLRY-RTBURBONSA-N 1 1 352.438 0.670 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H](C)NC(=O)CC)C1 ZINC001205144332 1223312094 /nfs/dbraw/zinc/31/20/94/1223312094.db2.gz DGKLPLRNNHPXAK-QXAKKESOSA-N 1 1 371.481 0.998 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[C@H]2CCNC2=O)C1 ZINC001205144660 1223312356 /nfs/dbraw/zinc/31/23/56/1223312356.db2.gz JYBAIPAWWNNIMQ-KZNAEPCWSA-N 1 1 355.438 0.220 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[C@H]2CCNC2=O)C1 ZINC001205144660 1223312359 /nfs/dbraw/zinc/31/23/59/1223312359.db2.gz JYBAIPAWWNNIMQ-KZNAEPCWSA-N 1 1 355.438 0.220 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001205157143 1223313566 /nfs/dbraw/zinc/31/35/66/1223313566.db2.gz LQALKIHWJLEERP-HLIPFELVSA-N 1 1 357.454 0.773 20 30 FCEDMO C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001205157143 1223313567 /nfs/dbraw/zinc/31/35/67/1223313567.db2.gz LQALKIHWJLEERP-HLIPFELVSA-N 1 1 357.454 0.773 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001205166767 1223313874 /nfs/dbraw/zinc/31/38/74/1223313874.db2.gz BPLJIJBBUWQWMP-OPYAIIAOSA-N 1 1 369.465 0.610 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001205166767 1223313878 /nfs/dbraw/zinc/31/38/78/1223313878.db2.gz BPLJIJBBUWQWMP-OPYAIIAOSA-N 1 1 369.465 0.610 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(C)(C)CNC(C)=O)C1 ZINC001205195774 1223316429 /nfs/dbraw/zinc/31/64/29/1223316429.db2.gz PLJAGROYDDJWSH-RTBURBONSA-N 1 1 371.481 0.856 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C(C)(C)CNC(C)=O)C1 ZINC001205195774 1223316434 /nfs/dbraw/zinc/31/64/34/1223316434.db2.gz PLJAGROYDDJWSH-RTBURBONSA-N 1 1 371.481 0.856 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2ccccc2=O)C1 ZINC001205216406 1223317061 /nfs/dbraw/zinc/31/70/61/1223317061.db2.gz BUBHJHPLJRYKGF-RTBURBONSA-N 1 1 365.433 0.555 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2ccccc2=O)C1 ZINC001205216406 1223317066 /nfs/dbraw/zinc/31/70/66/1223317066.db2.gz BUBHJHPLJRYKGF-RTBURBONSA-N 1 1 365.433 0.555 20 30 FCEDMO N#CCNC(=O)C[NH+]1CCC2(CN(C(=O)CCCF)[C@@H]3COC[C@@H]32)CC1 ZINC001205507501 1223328904 /nfs/dbraw/zinc/32/89/04/1223328904.db2.gz ABENRQZAXAAOTN-LSDHHAIUSA-N 1 1 366.437 0.315 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cncn2)C1 ZINC001206054063 1223346004 /nfs/dbraw/zinc/34/60/04/1223346004.db2.gz XOVXSCXOWWVNST-HZPDHXFCSA-N 1 1 362.478 0.529 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cncn2)C1 ZINC001206054063 1223346007 /nfs/dbraw/zinc/34/60/07/1223346007.db2.gz XOVXSCXOWWVNST-HZPDHXFCSA-N 1 1 362.478 0.529 20 30 FCEDMO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001276486792 1223346396 /nfs/dbraw/zinc/34/63/96/1223346396.db2.gz DORXZPOZLZDRTH-IBGZPJMESA-N 1 1 355.442 0.856 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC2CC2)C1 ZINC001206225324 1223350313 /nfs/dbraw/zinc/35/03/13/1223350313.db2.gz OFGPTBQDZMYASM-VNHYZAJKSA-N 1 1 366.462 0.250 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC2CC2)C1 ZINC001206225324 1223350315 /nfs/dbraw/zinc/35/03/15/1223350315.db2.gz OFGPTBQDZMYASM-VNHYZAJKSA-N 1 1 366.462 0.250 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001206273551 1223352138 /nfs/dbraw/zinc/35/21/38/1223352138.db2.gz DMTNRTQLLJJEBE-UKRRQHHQSA-N 1 1 360.462 0.541 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001206273551 1223352142 /nfs/dbraw/zinc/35/21/42/1223352142.db2.gz DMTNRTQLLJJEBE-UKRRQHHQSA-N 1 1 360.462 0.541 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001206295655 1223353752 /nfs/dbraw/zinc/35/37/52/1223353752.db2.gz MCYSZYRKCYALOO-HZPDHXFCSA-N 1 1 360.462 0.390 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001206295655 1223353756 /nfs/dbraw/zinc/35/37/56/1223353756.db2.gz MCYSZYRKCYALOO-HZPDHXFCSA-N 1 1 360.462 0.390 20 30 FCEDMO CCCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001206351113 1223356397 /nfs/dbraw/zinc/35/63/97/1223356397.db2.gz XZNKEWDSOVHIRR-HUUCEWRRSA-N 1 1 365.478 0.101 20 30 FCEDMO CCCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001206351113 1223356400 /nfs/dbraw/zinc/35/64/00/1223356400.db2.gz XZNKEWDSOVHIRR-HUUCEWRRSA-N 1 1 365.478 0.101 20 30 FCEDMO CCNC(=O)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001206558957 1223361268 /nfs/dbraw/zinc/36/12/68/1223361268.db2.gz KFDSZDDRVLFCDK-HUUCEWRRSA-N 1 1 365.478 0.101 20 30 FCEDMO CCNC(=O)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001206558957 1223361270 /nfs/dbraw/zinc/36/12/70/1223361270.db2.gz KFDSZDDRVLFCDK-HUUCEWRRSA-N 1 1 365.478 0.101 20 30 FCEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1C ZINC001206648205 1223364215 /nfs/dbraw/zinc/36/42/15/1223364215.db2.gz VHHALXMDKQLHBW-JJRVBVJISA-N 1 1 353.426 0.993 20 30 FCEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1C ZINC001206648205 1223364218 /nfs/dbraw/zinc/36/42/18/1223364218.db2.gz VHHALXMDKQLHBW-JJRVBVJISA-N 1 1 353.426 0.993 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001206689543 1223365302 /nfs/dbraw/zinc/36/53/02/1223365302.db2.gz DJAJKCNJAXEJCK-UKRRQHHQSA-N 1 1 366.462 0.251 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCOCC2)C1 ZINC001206689543 1223365303 /nfs/dbraw/zinc/36/53/03/1223365303.db2.gz DJAJKCNJAXEJCK-UKRRQHHQSA-N 1 1 366.462 0.251 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC001206746639 1223368256 /nfs/dbraw/zinc/36/82/56/1223368256.db2.gz NNJNAKCRGKPNMJ-MBNYWOFBSA-N 1 1 363.418 0.054 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC001206746639 1223368259 /nfs/dbraw/zinc/36/82/59/1223368259.db2.gz NNJNAKCRGKPNMJ-MBNYWOFBSA-N 1 1 363.418 0.054 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001206759390 1223369083 /nfs/dbraw/zinc/36/90/83/1223369083.db2.gz DWPPCLCNKJOPSW-GAGVYUBLSA-N 1 1 362.474 0.871 20 30 FCEDMO 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359.455 0.921 20 30 FCEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@@H]1n1ccnn1 ZINC001129284048 848825952 /nfs/dbraw/zinc/82/59/52/848825952.db2.gz HJJXNGVKCKRNLX-KFWWJZLASA-N 1 1 351.451 0.229 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001129454072 848847004 /nfs/dbraw/zinc/84/70/04/848847004.db2.gz VKSYESULUJKBFW-CABCVRRESA-N 1 1 361.837 0.583 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129795841 848895128 /nfs/dbraw/zinc/89/51/28/848895128.db2.gz RBGGIPJLEJBRRC-YCPHGPKFSA-N 1 1 362.459 0.603 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(F)F)n1 ZINC001130175693 848957910 /nfs/dbraw/zinc/95/79/10/848957910.db2.gz UITYWHNIIHXEFT-QWRGUYRKSA-N 1 1 359.377 0.351 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(F)F)n[nH]1 ZINC001130175693 848957912 /nfs/dbraw/zinc/95/79/12/848957912.db2.gz UITYWHNIIHXEFT-QWRGUYRKSA-N 1 1 359.377 0.351 20 30 FCEDMO 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30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129438598 1201317567 /nfs/dbraw/zinc/31/75/67/1201317567.db2.gz XOOWQVAQLCXOPK-CVEARBPZSA-N 1 1 357.418 0.234 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129438598 1201317570 /nfs/dbraw/zinc/31/75/70/1201317570.db2.gz XOOWQVAQLCXOPK-CVEARBPZSA-N 1 1 357.418 0.234 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CCCCC1 ZINC001129476767 1201322924 /nfs/dbraw/zinc/32/29/24/1201322924.db2.gz PWOCLYHIKOAPMU-SJORKVTESA-N 1 1 359.474 0.976 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086623105 1201339259 /nfs/dbraw/zinc/33/92/59/1201339259.db2.gz KRLKCGKRLCSXOT-DOTOQJQBSA-N 1 1 366.421 0.707 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001086623605 1201349367 /nfs/dbraw/zinc/34/93/67/1201349367.db2.gz MVQZVLVKHIUPDJ-DLBZAZTESA-N 1 1 360.421 0.884 20 30 FCEDMO C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001086623605 1201349385 /nfs/dbraw/zinc/34/93/85/1201349385.db2.gz MVQZVLVKHIUPDJ-DLBZAZTESA-N 1 1 360.421 0.884 20 30 FCEDMO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CCOCCOC)C[C@@H]2O)cc1 ZINC001219884393 1224670670 /nfs/dbraw/zinc/67/06/70/1224670670.db2.gz AUSGLJXHOOPFPH-MSOLQXFVSA-N 1 1 364.442 0.689 20 30 FCEDMO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@@H]2O)cc1 ZINC001219884393 1224670673 /nfs/dbraw/zinc/67/06/73/1224670673.db2.gz AUSGLJXHOOPFPH-MSOLQXFVSA-N 1 1 364.442 0.689 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129845771 1201404172 /nfs/dbraw/zinc/40/41/72/1201404172.db2.gz UMPKOJRJBMQCQV-CVEARBPZSA-N 1 1 358.402 0.156 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129895853 1201430083 /nfs/dbraw/zinc/43/00/83/1201430083.db2.gz KXPVPDQKEPJXPN-MNOVXSKESA-N 1 1 367.335 0.699 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1n1ccnn1 ZINC001129942935 1201445745 /nfs/dbraw/zinc/44/57/45/1201445745.db2.gz ITVDQWOKBRAACA-SJORKVTESA-N 1 1 358.490 0.765 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129987038 1201468753 /nfs/dbraw/zinc/46/87/53/1201468753.db2.gz VHNWZGLPCOEZOH-CVEARBPZSA-N 1 1 371.445 0.975 20 30 FCEDMO C#CC[NH2+][C@@H]1CN(C(=O)CN(C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014191 1201471914 /nfs/dbraw/zinc/47/19/14/1201471914.db2.gz DTPYMKHMFWVAME-MOPGFXCFSA-N 1 1 366.469 0.427 20 30 FCEDMO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014612 1201472100 /nfs/dbraw/zinc/47/21/00/1201472100.db2.gz VSMAGXXMYJWRPV-MOPGFXCFSA-N 1 1 368.485 0.980 20 30 FCEDMO C#C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCCO1 ZINC000805306193 1201512771 /nfs/dbraw/zinc/51/27/71/1201512771.db2.gz SWJRJVCGAXTFOB-QHEDDYRISA-N 1 1 362.474 0.550 20 30 FCEDMO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130151516 1201517271 /nfs/dbraw/zinc/51/72/71/1201517271.db2.gz UVTSLLKEJOOLAK-BMFZPTHFSA-N 1 1 360.418 0.707 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001130151086 1201517514 /nfs/dbraw/zinc/51/75/14/1201517514.db2.gz IEFOXVSNRVDXFU-UAGQMJEPSA-N 1 1 371.445 0.509 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCOCC2)n1 ZINC001130175094 1201521305 /nfs/dbraw/zinc/52/13/05/1201521305.db2.gz BSENGCSFNVVJDW-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCOCC2)n[nH]1 ZINC001130175094 1201521310 /nfs/dbraw/zinc/52/13/10/1201521310.db2.gz BSENGCSFNVVJDW-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2)[nH]1 ZINC001130181579 1201524884 /nfs/dbraw/zinc/52/48/84/1201524884.db2.gz LSILVXYEPSEFQX-GJZGRUSLSA-N 1 1 354.414 0.615 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[nH]1 ZINC001130187197 1201528048 /nfs/dbraw/zinc/52/80/48/1201528048.db2.gz WFSIEPRTDUMYHX-GJZGRUSLSA-N 1 1 354.414 0.533 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CC)c2)[nH]1 ZINC001130195777 1201532091 /nfs/dbraw/zinc/53/20/91/1201532091.db2.gz BXQKWARONJKCLS-GJZGRUSLSA-N 1 1 371.445 0.437 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c(=O)c2)n1 ZINC001130198218 1201533670 /nfs/dbraw/zinc/53/36/70/1201533670.db2.gz AIUQKFLWOCZXCN-STQMWFEESA-N 1 1 358.402 0.483 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c(=O)c2)n[nH]1 ZINC001130198218 1201533673 /nfs/dbraw/zinc/53/36/73/1201533673.db2.gz AIUQKFLWOCZXCN-STQMWFEESA-N 1 1 358.402 0.483 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccn2)[nH]1 ZINC001130184878 1201538305 /nfs/dbraw/zinc/53/83/05/1201538305.db2.gz LFOYZJKDCSPLFL-ILXRZTDVSA-N 1 1 371.445 0.364 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnnc(C)c2)n1 ZINC001130205165 1201540764 /nfs/dbraw/zinc/54/07/64/1201540764.db2.gz SQMYVMIDJAVPQG-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnnc(C)c2)n[nH]1 ZINC001130205165 1201540767 /nfs/dbraw/zinc/54/07/67/1201540767.db2.gz SQMYVMIDJAVPQG-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130207718 1201542073 /nfs/dbraw/zinc/54/20/73/1201542073.db2.gz NBXNXTJTOYAVTG-KBPBESRZSA-N 1 1 367.425 0.283 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130207718 1201542076 /nfs/dbraw/zinc/54/20/76/1201542076.db2.gz NBXNXTJTOYAVTG-KBPBESRZSA-N 1 1 367.425 0.283 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C2CC2)[nH]1 ZINC001130210133 1201543706 /nfs/dbraw/zinc/54/37/06/1201543706.db2.gz XZDORXRRCSAGRU-OFQRWUPVSA-N 1 1 361.446 0.331 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130209969 1201543942 /nfs/dbraw/zinc/54/39/42/1201543942.db2.gz SHDGYJVSZOGYFF-DEYYWGMASA-N 1 1 361.446 0.233 20 30 FCEDMO CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209877 1201544042 /nfs/dbraw/zinc/54/40/42/1201544042.db2.gz PCSOXIDFDDFFMA-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209877 1201544045 /nfs/dbraw/zinc/54/40/45/1201544045.db2.gz PCSOXIDFDDFFMA-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccnn2C)n1 ZINC001130210094 1201544243 /nfs/dbraw/zinc/54/42/43/1201544243.db2.gz WFCXWMGDFJAOQV-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccnn2C)n[nH]1 ZINC001130210094 1201544248 /nfs/dbraw/zinc/54/42/48/1201544248.db2.gz WFCXWMGDFJAOQV-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncc[nH]2)n1 ZINC001130213257 1201544694 /nfs/dbraw/zinc/54/46/94/1201544694.db2.gz WDMWEXOOWFTJCA-STQMWFEESA-N 1 1 359.434 0.886 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncc[nH]2)n[nH]1 ZINC001130213257 1201544696 /nfs/dbraw/zinc/54/46/96/1201544696.db2.gz WDMWEXOOWFTJCA-STQMWFEESA-N 1 1 359.434 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(OC)C2)n1 ZINC001130216151 1201546770 /nfs/dbraw/zinc/54/67/70/1201546770.db2.gz OCIFYVJCGAVXGC-WUCCLRPBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(OC)C2)n[nH]1 ZINC001130216151 1201546774 /nfs/dbraw/zinc/54/67/74/1201546774.db2.gz OCIFYVJCGAVXGC-WUCCLRPBSA-N 1 1 363.462 0.884 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC(F)(F)C2)[nH]1 ZINC001130215986 1201547106 /nfs/dbraw/zinc/54/71/06/1201547106.db2.gz LJJJMHWVSVTOJE-AVGNSLFASA-N 1 1 367.400 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC(C)C)[nH]1 ZINC001130200345 1201548166 /nfs/dbraw/zinc/54/81/66/1201548166.db2.gz IVCACRVSVVUEHN-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2)[nH]1 ZINC001130200568 1201548609 /nfs/dbraw/zinc/54/86/09/1201548609.db2.gz QNIMTFGBWYCFSU-GJZGRUSLSA-N 1 1 354.414 0.154 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(C)cn2)n1 ZINC001130200793 1201549056 /nfs/dbraw/zinc/54/90/56/1201549056.db2.gz WVPGVSWWHRQVAV-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(C)cn2)n[nH]1 ZINC001130200793 1201549058 /nfs/dbraw/zinc/54/90/58/1201549058.db2.gz WVPGVSWWHRQVAV-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCOC)n[nH]1 ZINC001130202800 1201549774 /nfs/dbraw/zinc/54/97/74/1201549774.db2.gz KZBCKYKYPJCJBN-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCOC)n1 ZINC001130202800 1201549781 /nfs/dbraw/zinc/54/97/81/1201549781.db2.gz KZBCKYKYPJCJBN-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C[C@@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2cccnc2)n[nH]1 ZINC001130203005 1201550067 /nfs/dbraw/zinc/55/00/67/1201550067.db2.gz PLDBWPHTCJAXGC-QEJZJMRPSA-N 1 1 369.429 0.638 20 30 FCEDMO C[C@@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]Cc2cccnc2)n1 ZINC001130203005 1201550074 /nfs/dbraw/zinc/55/00/74/1201550074.db2.gz PLDBWPHTCJAXGC-QEJZJMRPSA-N 1 1 369.429 0.638 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(C(C)C)cn2)[nH]1 ZINC001130224980 1201554229 /nfs/dbraw/zinc/55/42/29/1201554229.db2.gz LJJRVGQQXULRDT-ZFWWWQNUSA-N 1 1 371.445 0.607 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001130235183 1201558766 /nfs/dbraw/zinc/55/87/66/1201558766.db2.gz XBTKZIMZHDIQHT-OTJKEOIZSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n[nH]1 ZINC001130235183 1201558770 /nfs/dbraw/zinc/55/87/70/1201558770.db2.gz XBTKZIMZHDIQHT-OTJKEOIZSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2nccc2C)n1 ZINC001130242092 1201563010 /nfs/dbraw/zinc/56/30/10/1201563010.db2.gz FBJBXFLFIXETOW-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2nccc2C)n[nH]1 ZINC001130242092 1201563017 /nfs/dbraw/zinc/56/30/17/1201563017.db2.gz FBJBXFLFIXETOW-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncn2)n1 ZINC001130244579 1201563955 /nfs/dbraw/zinc/56/39/55/1201563955.db2.gz KNMMDDXOJJWCMM-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncn2)n[nH]1 ZINC001130244579 1201563956 /nfs/dbraw/zinc/56/39/56/1201563956.db2.gz KNMMDDXOJJWCMM-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CCOC2)n1 ZINC001130245191 1201564777 /nfs/dbraw/zinc/56/47/77/1201564777.db2.gz VAMPIKBKWYOVNX-SUNYJGFJSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)CCOC2)n[nH]1 ZINC001130245191 1201564781 /nfs/dbraw/zinc/56/47/81/1201564781.db2.gz VAMPIKBKWYOVNX-SUNYJGFJSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(CC)cn2)[nH]1 ZINC001130246409 1201566114 /nfs/dbraw/zinc/56/61/14/1201566114.db2.gz KDXUYIDYWMSUFH-JSGCOSHPSA-N 1 1 357.418 0.046 20 30 FCEDMO C#CCNC(=O)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC)CC1 ZINC001130269318 1201574109 /nfs/dbraw/zinc/57/41/09/1201574109.db2.gz KALOKIJEAJZWLL-BEFAXECRSA-N 1 1 362.474 0.011 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H](O)C1 ZINC001219973417 1224708530 /nfs/dbraw/zinc/70/85/30/1224708530.db2.gz BSLYNHMHTUFWDD-BMFZPTHFSA-N 1 1 361.442 0.680 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001220002356 1224724038 /nfs/dbraw/zinc/72/40/38/1224724038.db2.gz HTEGKDPWGCKFLE-UAGQMJEPSA-N 1 1 364.417 0.741 20 30 FCEDMO C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C[C@@H]2C(=O)NCc2cnc[nH]2)C1 ZINC001276809819 1224727243 /nfs/dbraw/zinc/72/72/43/1224727243.db2.gz LOOPIXRNQMCQEF-MRXNPFEDSA-N 1 1 357.458 0.917 20 30 FCEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000806254813 1202719876 /nfs/dbraw/zinc/71/98/76/1202719876.db2.gz ULQSNHAQYZIQRJ-MRXNPFEDSA-N 1 1 372.473 0.862 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nccn2C)C1 ZINC001130592867 1202726651 /nfs/dbraw/zinc/72/66/51/1202726651.db2.gz IWLNAKVOXQAZMY-YQQAZPJKSA-N 1 1 370.457 0.276 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnoc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001220063333 1224741877 /nfs/dbraw/zinc/74/18/77/1224741877.db2.gz ROLKLZRULVBGAH-CABCVRRESA-N 1 1 361.402 0.053 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnoc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001220063333 1224741879 /nfs/dbraw/zinc/74/18/79/1224741879.db2.gz ROLKLZRULVBGAH-CABCVRRESA-N 1 1 361.402 0.053 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001220070493 1224744043 /nfs/dbraw/zinc/74/40/43/1224744043.db2.gz RWPXGQBGHINUMX-XYPHTWIQSA-N 1 1 356.430 0.792 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccn3)n[nH]2)O1 ZINC001130749443 1202775626 /nfs/dbraw/zinc/77/56/26/1202775626.db2.gz HNLDOUVWVUBGPS-GXTWGEPZSA-N 1 1 355.402 0.358 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[n+]([O-])cc3)n[nH]2)O1 ZINC001130753200 1202776744 /nfs/dbraw/zinc/77/67/44/1202776744.db2.gz WKVRJJAPDXZCER-LSDHHAIUSA-N 1 1 370.413 0.201 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)NC(C)=O)n[nH]2)O1 ZINC001130753265 1202776933 /nfs/dbraw/zinc/77/69/33/1202776933.db2.gz ZVVMDUJSWQIGJF-KWCYVHTRSA-N 1 1 364.450 0.331 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)NC(C)=O)n[nH]2)O1 ZINC001130753264 1202777401 /nfs/dbraw/zinc/77/74/01/1202777401.db2.gz ZVVMDUJSWQIGJF-FPMFFAJLSA-N 1 1 364.450 0.331 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccn3)n[nH]2)O1 ZINC001130762008 1202777972 /nfs/dbraw/zinc/77/79/72/1202777972.db2.gz LKFKBLXNUHIWBZ-MELADBBJSA-N 1 1 359.434 0.874 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](O)C1 ZINC001220072299 1224745039 /nfs/dbraw/zinc/74/50/39/1224745039.db2.gz PCXRTAUNMLZCAQ-BJJXKVORSA-N 1 1 359.430 0.461 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c(=O)c3)n[nH]2)O1 ZINC001130775427 1202783912 /nfs/dbraw/zinc/78/39/12/1202783912.db2.gz VUVUIKSYEMYOGD-UONOGXRCSA-N 1 1 370.413 0.668 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+][C@H](C)COC)O2)n1 ZINC001130767442 1202785112 /nfs/dbraw/zinc/78/51/12/1202785112.db2.gz IZCDQCQTYWUOPK-HZSPNIEDSA-N 1 1 367.450 0.468 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@@H]3CCC[N@@H+]3C)[n-]2)O1 ZINC001130772350 1202787403 /nfs/dbraw/zinc/78/74/03/1202787403.db2.gz IOCLJSUAOIFKFR-SOUVJXGZSA-N 1 1 360.462 0.348 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130785532 1202789535 /nfs/dbraw/zinc/78/95/35/1202789535.db2.gz SRCYOTBYJNAGFN-MELADBBJSA-N 1 1 367.425 0.629 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnc(C)c3)n[nH]2)O1 ZINC001130776579 1202790069 /nfs/dbraw/zinc/79/00/69/1202790069.db2.gz GWFDOVDTBOXDNZ-UONOGXRCSA-N 1 1 355.402 0.276 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccc3)n[nH]2)O1 ZINC001130776360 1202790298 /nfs/dbraw/zinc/79/02/98/1202790298.db2.gz AMMOLYPHKAOOHG-QLFBSQMISA-N 1 1 356.430 0.927 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3n[nH]c(C)c3C)n[nH]2)O1 ZINC001130776813 1202790523 /nfs/dbraw/zinc/79/05/23/1202790523.db2.gz MJKFWEUAMOYMSA-UONOGXRCSA-N 1 1 371.445 0.908 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccon3)n[nH]2)O1 ZINC001130777171 1202790648 /nfs/dbraw/zinc/79/06/48/1202790648.db2.gz VBYPIUHLLUMBLV-UONOGXRCSA-N 1 1 358.402 0.485 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130778280 1202791579 /nfs/dbraw/zinc/79/15/79/1202791579.db2.gz OVNJADYTSQGWQQ-AHIWAGSCSA-N 1 1 367.450 0.204 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(=O)NC)n[nH]2)O1 ZINC001130778162 1202791745 /nfs/dbraw/zinc/79/17/45/1202791745.db2.gz JEFJJEWDJBGFSC-QWHCGFSZSA-N 1 1 364.450 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC(=O)NC)n[nH]2)O1 ZINC001130778420 1202792153 /nfs/dbraw/zinc/79/21/53/1202792153.db2.gz XKBNHOBJPLBJBE-QWHCGFSZSA-N 1 1 364.450 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cncn3)n[nH]2)O1 ZINC001130781269 1202792844 /nfs/dbraw/zinc/79/28/44/1202792844.db2.gz WFXLQNHFGGWFQK-RWMBFGLXSA-N 1 1 360.422 0.269 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3n[nH]cc3C)n[nH]2)O1 ZINC001130782931 1202793926 /nfs/dbraw/zinc/79/39/26/1202793926.db2.gz GMBXOBXQXKTOPK-QWHCGFSZSA-N 1 1 357.418 0.599 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccn(CC)n3)n[nH]2)O1 ZINC001130783210 1202794366 /nfs/dbraw/zinc/79/43/66/1202794366.db2.gz QICVIOJQXFHQMS-LSDHHAIUSA-N 1 1 371.445 0.323 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3n[nH]cc3C)n[nH]2)O1 ZINC001130783015 1202794471 /nfs/dbraw/zinc/79/44/71/1202794471.db2.gz KHWCYVVMLYWYTI-QWHCGFSZSA-N 1 1 357.418 0.599 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[nH]2)O1 ZINC001130783154 1202794562 /nfs/dbraw/zinc/79/45/62/1202794562.db2.gz MSKORXOFERCSLO-QWHCGFSZSA-N 1 1 355.402 0.276 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncn(C)n3)n[nH]2)O1 ZINC001130783426 1202794604 /nfs/dbraw/zinc/79/46/04/1202794604.db2.gz XMMZUAVASBEBDD-NWDGAFQWSA-N 1 1 360.422 0.249 20 30 FCEDMO C=CCC1(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCO)O3)n2)CCC1 ZINC001130804557 1202800573 /nfs/dbraw/zinc/80/05/73/1202800573.db2.gz JWWKJOGMTAXNRJ-UONOGXRCSA-N 1 1 363.462 0.969 20 30 FCEDMO CC[C@H](F)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130799283 1202802851 /nfs/dbraw/zinc/80/28/51/1202802851.db2.gz AHDXPDAHEQOCNG-MELADBBJSA-N 1 1 367.425 0.629 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n1 ZINC001130802407 1202803713 /nfs/dbraw/zinc/80/37/13/1202803713.db2.gz SENZCARUYJFHPU-LSDHHAIUSA-N 1 1 363.462 0.807 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3nccc3C)n[nH]2)O1 ZINC001130811819 1202804963 /nfs/dbraw/zinc/80/49/63/1202804963.db2.gz LRFOJHNJKDVTOI-LSDHHAIUSA-N 1 1 371.445 0.459 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCC(=O)N3)n[nH]2)O1 ZINC001130813646 1202805951 /nfs/dbraw/zinc/80/59/51/1202805951.db2.gz VWDAEFKTHJACLC-FRRDWIJNSA-N 1 1 362.434 0.085 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCC(=O)N3)n[nH]2)O1 ZINC001130813647 1202806222 /nfs/dbraw/zinc/80/62/22/1202806222.db2.gz VWDAEFKTHJACLC-RWMBFGLXSA-N 1 1 362.434 0.085 20 30 FCEDMO C[N@H+]1CC[C@@H](CC(=O)NCc2nc([C@H]3CC[C@@H](CNCC#N)O3)n[nH]2)C1 ZINC001130815913 1202806882 /nfs/dbraw/zinc/80/68/82/1202806882.db2.gz GVRSZWPZQVVAFK-MELADBBJSA-N 1 1 361.450 0.096 20 30 FCEDMO C[N@@H+]1CC[C@@H](CC(=O)NCc2n[nH]c([C@H]3CC[C@@H](CNCC#N)O3)n2)C1 ZINC001130815913 1202806884 /nfs/dbraw/zinc/80/68/84/1202806884.db2.gz GVRSZWPZQVVAFK-MELADBBJSA-N 1 1 361.450 0.096 20 30 FCEDMO C[N@H+]1CC[C@@H](CC(=O)NCc2n[nH]c([C@H]3CC[C@@H](CNCC#N)O3)n2)C1 ZINC001130815913 1202806885 /nfs/dbraw/zinc/80/68/85/1202806885.db2.gz GVRSZWPZQVVAFK-MELADBBJSA-N 1 1 361.450 0.096 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCC(=O)N3)n[nH]2)O1 ZINC001130815838 1202806911 /nfs/dbraw/zinc/80/69/11/1202806911.db2.gz CDYLLGIVPRAULO-RWMBFGLXSA-N 1 1 362.434 0.085 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3OC)n[nH]2)O1 ZINC001130817582 1202808538 /nfs/dbraw/zinc/80/85/38/1202808538.db2.gz UMONESSYYBAPJR-GXTWGEPZSA-N 1 1 370.413 0.581 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]c3)n[nH]2)O1 ZINC001130817774 1202808621 /nfs/dbraw/zinc/80/86/21/1202808621.db2.gz ZHDZKGBGXFDUNX-QWHCGFSZSA-N 1 1 358.402 0.831 20 30 FCEDMO 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COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001111934931 1221178318 /nfs/dbraw/zinc/17/83/18/1221178318.db2.gz BNTINWBYUKQECR-KXBFYZLASA-N 1 1 368.441 0.667 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001111936384 1221179263 /nfs/dbraw/zinc/17/92/63/1221179263.db2.gz HRZHVVLUPWGAGF-UVFQYZLESA-N 1 1 369.469 0.235 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001111936384 1221179266 /nfs/dbraw/zinc/17/92/66/1221179266.db2.gz HRZHVVLUPWGAGF-UVFQYZLESA-N 1 1 369.469 0.235 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(=O)NCC)C1 ZINC001111944455 1221180666 /nfs/dbraw/zinc/18/06/66/1221180666.db2.gz CWUMXBWLXKKJNE-KXBFYZLASA-N 1 1 364.490 0.566 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(=O)NCCC)C1 ZINC001111946391 1221181582 /nfs/dbraw/zinc/18/15/82/1221181582.db2.gz WQERYNDMKRAHBG-KXBFYZLASA-N 1 1 362.474 0.013 20 30 FCEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCc2cccnc2)C1 ZINC001111958990 1221185148 /nfs/dbraw/zinc/18/51/48/1221185148.db2.gz XEBCEJGUWLGHEO-LPHOPBHVSA-N 1 1 371.441 0.209 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCc2cccnc2)C1 ZINC001111958990 1221185151 /nfs/dbraw/zinc/18/51/51/1221185151.db2.gz XEBCEJGUWLGHEO-LPHOPBHVSA-N 1 1 371.441 0.209 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001111959708 1221185746 /nfs/dbraw/zinc/18/57/46/1221185746.db2.gz KJDVHYJXKYJKFG-LNLFQRSKSA-N 1 1 365.474 0.407 20 30 FCEDMO Cc1ccc(OCC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)cc1 ZINC001111968351 1221188693 /nfs/dbraw/zinc/18/86/93/1221188693.db2.gz FXBVREYLJUJKHT-JXFKEZNVSA-N 1 1 370.453 0.984 20 30 FCEDMO Cc1ccc(OCC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)cc1 ZINC001111968351 1221188697 /nfs/dbraw/zinc/18/86/97/1221188697.db2.gz FXBVREYLJUJKHT-JXFKEZNVSA-N 1 1 370.453 0.984 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3nnc(C)n3C2)C1 ZINC001111996027 1221196446 /nfs/dbraw/zinc/19/64/46/1221196446.db2.gz GYIPDOZJWJHKEJ-UWVAXJGDSA-N 1 1 371.485 0.769 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001112021358 1221203479 /nfs/dbraw/zinc/20/34/79/1221203479.db2.gz JFRKWTPJAQXBEO-KXBFYZLASA-N 1 1 358.442 0.967 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CCCC(N)=O)C2)C1=O ZINC001112023487 1221204016 /nfs/dbraw/zinc/20/40/16/1221204016.db2.gz UXBQDUVIRSRYNQ-KHYOSLBOSA-N 1 1 362.474 0.400 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C(F)(F)F ZINC001112085981 1221208547 /nfs/dbraw/zinc/20/85/47/1221208547.db2.gz YMVPNXDDFFRKSU-RAIGVLPGSA-N 1 1 371.363 0.760 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C(F)(F)F ZINC001112086823 1221208695 /nfs/dbraw/zinc/20/86/95/1221208695.db2.gz VSCHPZBGBKXMJS-CHWSQXEVSA-N 1 1 369.347 0.781 20 30 FCEDMO Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C2)nn1 ZINC001112098170 1221209057 /nfs/dbraw/zinc/20/90/57/1221209057.db2.gz YEULFXDORCPDMF-ZYHUDNBSSA-N 1 1 370.335 0.017 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C2)nc1 ZINC001112195356 1221215139 /nfs/dbraw/zinc/21/51/39/1221215139.db2.gz WXJAUBMRISJQBF-TZMCWYRMSA-N 1 1 368.359 0.792 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000784381887 1221241274 /nfs/dbraw/zinc/24/12/74/1221241274.db2.gz PEFCKVIRUROVAK-UHFFFAOYSA-N 1 1 363.421 0.967 20 30 FCEDMO COCCN(CCC#N)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000784449742 1221243317 /nfs/dbraw/zinc/24/33/17/1221243317.db2.gz HYWSYYPZDBOCIA-UHFFFAOYSA-N 1 1 356.386 0.903 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001114951930 1221265002 /nfs/dbraw/zinc/26/50/02/1221265002.db2.gz LYHKWHCVFPPANB-NLPMXTIOSA-N 1 1 367.449 0.355 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1OCC[C@@H]1c1ccccc1 ZINC001114951930 1221265004 /nfs/dbraw/zinc/26/50/04/1221265004.db2.gz LYHKWHCVFPPANB-NLPMXTIOSA-N 1 1 367.449 0.355 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000796988926 1221267773 /nfs/dbraw/zinc/26/77/73/1221267773.db2.gz MVHRMRYETQKCJB-JKSUJKDBSA-N 1 1 358.442 0.836 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 ZINC000796988926 1221267776 /nfs/dbraw/zinc/26/77/76/1221267776.db2.gz MVHRMRYETQKCJB-JKSUJKDBSA-N 1 1 358.442 0.836 20 30 FCEDMO C#CCC[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000798360647 1221284303 /nfs/dbraw/zinc/28/43/03/1221284303.db2.gz RYPCABGIIURDHT-MRXNPFEDSA-N 1 1 360.462 0.062 20 30 FCEDMO C#CCC[C@@H](O)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000798395502 1221284455 /nfs/dbraw/zinc/28/44/55/1221284455.db2.gz IUJNAPVALHJCTQ-GOSISDBHSA-N 1 1 359.474 0.667 20 30 FCEDMO C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000799283343 1221307412 /nfs/dbraw/zinc/30/74/12/1221307412.db2.gz DDWZTJQTFSDCOG-HNNXBMFYSA-N 1 1 360.414 0.016 20 30 FCEDMO C#CCNC(=O)C1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC001116938139 1221405462 /nfs/dbraw/zinc/40/54/62/1221405462.db2.gz NAENCLULTRNFLW-UHFFFAOYSA-N 1 1 363.506 0.185 20 30 FCEDMO CC[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC001117037114 1221441557 /nfs/dbraw/zinc/44/15/57/1221441557.db2.gz AEJKGSLSICWJOK-ROUUACIJSA-N 1 1 370.453 0.690 20 30 FCEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC001117063812 1221452396 /nfs/dbraw/zinc/45/23/96/1221452396.db2.gz KZPLSPVVSAMDNY-RDJZCZTQSA-N 1 1 357.458 0.608 20 30 FCEDMO C#CCOCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001117148415 1221480734 /nfs/dbraw/zinc/48/07/34/1221480734.db2.gz DLEPPRXDVJDQIK-MRXNPFEDSA-N 1 1 373.453 0.290 20 30 FCEDMO C#CCOCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001117148415 1221480744 /nfs/dbraw/zinc/48/07/44/1221480744.db2.gz DLEPPRXDVJDQIK-MRXNPFEDSA-N 1 1 373.453 0.290 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC001117146847 1221480929 /nfs/dbraw/zinc/48/09/29/1221480929.db2.gz XBINLFCGMWNPCE-KSSFIOAISA-N 1 1 370.453 0.746 20 30 FCEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC001117472637 1221553589 /nfs/dbraw/zinc/55/35/89/1221553589.db2.gz QOYGZQNRLXFIOZ-ROUUACIJSA-N 1 1 370.453 0.764 20 30 FCEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC001117982854 1221676218 /nfs/dbraw/zinc/67/62/18/1221676218.db2.gz WKURFNUPSVOPIZ-HXUWFJFHSA-N 1 1 371.485 0.809 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC001118006016 1221683384 /nfs/dbraw/zinc/68/33/84/1221683384.db2.gz ZUGJMJXQVGEHRA-ZDUSSCGKSA-N 1 1 362.405 0.398 20 30 FCEDMO C=CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@H](C)COC ZINC001118531258 1221795977 /nfs/dbraw/zinc/79/59/77/1221795977.db2.gz LROVLOZDRSXYOD-MRXNPFEDSA-N 1 1 369.506 0.853 20 30 FCEDMO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCN(C)CC1 ZINC001118584627 1221804296 /nfs/dbraw/zinc/80/42/96/1221804296.db2.gz DEAQCRKNAQQVPH-IRXDYDNUSA-N 1 1 363.506 0.527 20 30 FCEDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC001119593307 1221938078 /nfs/dbraw/zinc/93/80/78/1221938078.db2.gz AHYLELXBDPQQOZ-GOSISDBHSA-N 1 1 355.438 0.585 20 30 FCEDMO COCC#CC[N@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)Cc1cccnc1 ZINC001230849656 1226089238 /nfs/dbraw/zinc/08/92/38/1226089238.db2.gz TYIFPIGFXXFWOP-SJORKVTESA-N 1 1 358.442 0.161 20 30 FCEDMO COCC#CC[N@@H+](CCCNC(=O)[C@H]1C[C@H]1C(N)=O)Cc1cccnc1 ZINC001230849656 1226089242 /nfs/dbraw/zinc/08/92/42/1226089242.db2.gz TYIFPIGFXXFWOP-SJORKVTESA-N 1 1 358.442 0.161 20 30 FCEDMO C#CCC[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Cc1cccnc1 ZINC001230846531 1226089953 /nfs/dbraw/zinc/08/99/53/1226089953.db2.gz NIZOSUAJIYAESN-DLBZAZTESA-N 1 1 358.442 0.446 20 30 FCEDMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc(=O)cc[nH]4)[C@@H]3C2)cc1C#N ZINC001277468435 1226091436 /nfs/dbraw/zinc/09/14/36/1226091436.db2.gz WJNJXFDCFBMZGB-KBXCAEBGSA-N 1 1 351.410 0.932 20 30 FCEDMO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc(=O)cc[nH]4)[C@@H]3C2)cc1C#N ZINC001277468435 1226091444 /nfs/dbraw/zinc/09/14/44/1226091444.db2.gz WJNJXFDCFBMZGB-KBXCAEBGSA-N 1 1 351.410 0.932 20 30 FCEDMO N#Cc1ccc(OC[C@@H](O)CNCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC001120590134 1222107439 /nfs/dbraw/zinc/10/74/39/1222107439.db2.gz LPSAICKVTNBWRO-SFHVURJKSA-N 1 1 374.485 0.880 20 30 FCEDMO C=CCn1c(N2CC[NH+](CCOCC)CC2)nnc1[C@@]1(C)CNC(=O)C1 ZINC001121497368 1222185078 /nfs/dbraw/zinc/18/50/78/1222185078.db2.gz QHBFGPFMLGMQAN-GOSISDBHSA-N 1 1 362.478 0.400 20 30 FCEDMO C=CCn1c([C@H](C)CO)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001121581108 1222194252 /nfs/dbraw/zinc/19/42/52/1222194252.db2.gz HKHCZZFOHTUSMY-CABCVRRESA-N 1 1 362.478 0.303 20 30 FCEDMO C=CCn1c(Cc2nnc(C3CC3)o2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121602661 1222195845 /nfs/dbraw/zinc/19/58/45/1222195845.db2.gz YEHAFOBEVRZYPI-AWEZNQCLSA-N 1 1 371.445 0.836 20 30 FCEDMO C=CCn1c(Cc2nnc(C3CC3)o2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121602661 1222195847 /nfs/dbraw/zinc/19/58/47/1222195847.db2.gz YEHAFOBEVRZYPI-AWEZNQCLSA-N 1 1 371.445 0.836 20 30 FCEDMO C=CCn1c(-c2cnn3cccnc23)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121661810 1222201271 /nfs/dbraw/zinc/20/12/71/1222201271.db2.gz PMLDFHWZCOFSQV-AWEZNQCLSA-N 1 1 366.429 0.695 20 30 FCEDMO C=CCn1c(-c2cnn3cccnc23)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121661810 1222201275 /nfs/dbraw/zinc/20/12/75/1222201275.db2.gz PMLDFHWZCOFSQV-AWEZNQCLSA-N 1 1 366.429 0.695 20 30 FCEDMO C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122625811 1222284614 /nfs/dbraw/zinc/28/46/14/1222284614.db2.gz LVXBRYZHBMOKKB-LSDHHAIUSA-N 1 1 360.462 0.716 20 30 FCEDMO C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122625809 1222284944 /nfs/dbraw/zinc/28/49/44/1222284944.db2.gz LVXBRYZHBMOKKB-HUUCEWRRSA-N 1 1 360.462 0.716 20 30 FCEDMO 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WYDIEQYTWBFJLN-OPRDCNLKSA-N 1 1 350.341 0.515 20 30 FCEDMO C=CCOCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001112079817 846356902 /nfs/dbraw/zinc/35/69/02/846356902.db2.gz WCURNYHRHZFTCG-IJLUTSLNSA-N 1 1 351.369 0.822 20 30 FCEDMO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C(F)(F)F ZINC001112085844 846364241 /nfs/dbraw/zinc/36/42/41/846364241.db2.gz RBWXEVLFXHTWTK-VXGBXAGGSA-N 1 1 357.336 0.567 20 30 FCEDMO C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001112085767 846364396 /nfs/dbraw/zinc/36/43/96/846364396.db2.gz MCMISMOCJISRMI-GHMZBOCLSA-N 1 1 351.756 0.857 20 30 FCEDMO CC(C)(C)OCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112086797 846365541 /nfs/dbraw/zinc/36/55/41/846365541.db2.gz UFRPFKLBTXYDQG-GHMZBOCLSA-N 1 1 364.368 0.420 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001112100376 846380128 /nfs/dbraw/zinc/38/01/28/846380128.db2.gz ANIMZUGJPOTTHQ-CYZMBNFOSA-N 1 1 361.364 0.282 20 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C[C@@H](C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1)C(C)(F)F ZINC001112166979 846430338 /nfs/dbraw/zinc/43/03/38/846430338.db2.gz BGKWRBMOGALJFH-IVZWLZJFSA-N 1 1 370.322 0.896 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001112168898 846432307 /nfs/dbraw/zinc/43/23/07/846432307.db2.gz NKIYMTJSGNHKHQ-FDYHWXHSSA-N 1 1 363.380 0.835 20 30 FCEDMO CCN(CC)C(=O)CN1C[C@]2(CC[N@@H+](CCCCC#N)C2)OCC1=O ZINC001276951846 861701738 /nfs/dbraw/zinc/70/17/38/861701738.db2.gz TZGIGXYYXWQPEM-GOSISDBHSA-N 1 1 350.463 0.852 20 30 FCEDMO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC001116351020 846662267 /nfs/dbraw/zinc/66/22/67/846662267.db2.gz VJQBTPZYUAEAQW-QHCPKHFHSA-N 1 1 354.501 0.944 20 30 FCEDMO C[N@H+]1CCCC[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001120809573 848286780 /nfs/dbraw/zinc/28/67/80/848286780.db2.gz MXRPNJOCWPDSRU-CYBMUJFWSA-N 1 1 364.471 0.716 20 30 FCEDMO C=CCn1c([C@H](C)[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001121700611 848383484 /nfs/dbraw/zinc/38/34/84/848383484.db2.gz LOYZGKBPYLIDCG-KBPBESRZSA-N 1 1 350.423 0.960 20 30 FCEDMO Cc1nc(CC[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@@H](n3ccnn3)C2)cs1 ZINC001128830169 848777947 /nfs/dbraw/zinc/77/79/47/848777947.db2.gz NONDRJBOSANULA-DFBGVHRSSA-N 1 1 359.459 0.787 20 30 FCEDMO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1n1ccnn1)OCC ZINC001129030385 848798343 /nfs/dbraw/zinc/79/83/43/848798343.db2.gz YQZLRTZYFVECPO-PMPSAXMXSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1n1ccnn1)OCC ZINC001129030385 848798348 /nfs/dbraw/zinc/79/83/48/848798348.db2.gz YQZLRTZYFVECPO-PMPSAXMXSA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCCN1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030194 848798454 /nfs/dbraw/zinc/79/84/54/848798454.db2.gz UJTTUKLDFVJWHT-OAGGEKHMSA-N 1 1 352.458 0.876 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N(C)CC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129194606 848817240 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359.459 0.783 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001129878891 848906444 /nfs/dbraw/zinc/90/64/44/848906444.db2.gz JYWAVUJZDLDZJZ-XHSDSOJGSA-N 1 1 350.442 0.323 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@@H]1n1ccnn1 ZINC001129927070 848917199 /nfs/dbraw/zinc/91/71/99/848917199.db2.gz LRUQEVGUFQIVBS-OLZOCXBDSA-N 1 1 369.857 0.211 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@]2(COC)CCOC2)C[C@@H]1n1ccnn1 ZINC001129945507 848919782 /nfs/dbraw/zinc/91/97/82/848919782.db2.gz OWIOJWCHFPHIGG-YCPHGPKFSA-N 1 1 369.853 0.425 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCOC)n1 ZINC001130186686 848965703 /nfs/dbraw/zinc/96/57/03/848965703.db2.gz JWRLKEMCMXQHII-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCOC)n[nH]1 ZINC001130186686 848965707 /nfs/dbraw/zinc/96/57/07/848965707.db2.gz JWRLKEMCMXQHII-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnsn2)n1 ZINC001130188027 848966564 /nfs/dbraw/zinc/96/65/64/848966564.db2.gz VPFDNABBBBUXFS-JQWIXIFHSA-N 1 1 363.447 0.624 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnsn2)n[nH]1 ZINC001130188027 848966567 /nfs/dbraw/zinc/96/65/67/848966567.db2.gz VPFDNABBBBUXFS-JQWIXIFHSA-N 1 1 363.447 0.624 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CSC)[nH]1 ZINC001130193280 848970857 /nfs/dbraw/zinc/97/08/57/848970857.db2.gz QBCZTGWZQLUMBG-IHRRRGAJSA-N 1 1 365.503 0.905 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CO[C@@H](C)CC)n1 ZINC001130200306 848973416 /nfs/dbraw/zinc/97/34/16/848973416.db2.gz HCBXYSBIVVZKAP-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CO[C@@H](C)CC)n[nH]1 ZINC001130200306 848973418 /nfs/dbraw/zinc/97/34/18/848973418.db2.gz HCBXYSBIVVZKAP-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 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534459024 /nfs/dbraw/zinc/45/90/24/534459024.db2.gz MSIDRKCYWRZVLW-HNNXBMFYSA-N 1 1 363.466 0.206 20 30 FCEDMO C[NH+]=C(NCCN1CCC(C)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261683033 526356175 /nfs/dbraw/zinc/35/61/75/526356175.db2.gz HUJRFCYKINJYFF-UHFFFAOYSA-N 1 1 361.494 0.376 20 30 FCEDMO C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000262788400 526372784 /nfs/dbraw/zinc/37/27/84/526372784.db2.gz NFNWKXVEMDSRDC-GOSISDBHSA-N 1 1 360.481 0.523 20 30 FCEDMO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000194921803 526644827 /nfs/dbraw/zinc/64/48/27/526644827.db2.gz KLCLAFUJFFBDQI-GASCZTMLSA-N 1 1 356.426 0.561 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000266629986 526725753 /nfs/dbraw/zinc/72/57/53/526725753.db2.gz WTRHTTJJMNYKDP-KRWDZBQOSA-N 1 1 353.422 0.673 20 30 FCEDMO C#CC[N@@H+](CC)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000267222547 526896018 /nfs/dbraw/zinc/89/60/18/526896018.db2.gz ATYBSDIXSJPGCX-SFHVURJKSA-N 1 1 371.437 0.452 20 30 FCEDMO C#CC[N@H+](CC)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000267222547 526896021 /nfs/dbraw/zinc/89/60/21/526896021.db2.gz ATYBSDIXSJPGCX-SFHVURJKSA-N 1 1 371.437 0.452 20 30 FCEDMO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177062024 527052230 /nfs/dbraw/zinc/05/22/30/527052230.db2.gz RWKMZFBUDXXNIU-UKRRQHHQSA-N 1 1 361.467 0.953 20 30 FCEDMO C#CCOc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000265505325 527120222 /nfs/dbraw/zinc/12/02/22/527120222.db2.gz CRAAUKZQWNIRFE-MRXNPFEDSA-N 1 1 372.425 0.093 20 30 FCEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCOC)[C@@H](C)C(N)=O)c(OC)c1 ZINC000264412792 527253887 /nfs/dbraw/zinc/25/38/87/527253887.db2.gz RLFUJIHJNUOIJF-HOCLYGCPSA-N 1 1 366.458 0.986 20 30 FCEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+](CCOC)[C@@H](C)C(N)=O)c(OC)c1 ZINC000264412792 527253893 /nfs/dbraw/zinc/25/38/93/527253893.db2.gz RLFUJIHJNUOIJF-HOCLYGCPSA-N 1 1 366.458 0.986 20 30 FCEDMO C=CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000121483947 527572772 /nfs/dbraw/zinc/57/27/72/527572772.db2.gz NBZGYAJSFPCNSI-UHFFFAOYSA-N 1 1 362.455 0.509 20 30 FCEDMO C=CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000121483947 527572779 /nfs/dbraw/zinc/57/27/79/527572779.db2.gz NBZGYAJSFPCNSI-UHFFFAOYSA-N 1 1 362.455 0.509 20 30 FCEDMO C=CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000121496298 527572820 /nfs/dbraw/zinc/57/28/20/527572820.db2.gz ZETNIQOUCXEGTQ-UHFFFAOYSA-N 1 1 373.425 0.916 20 30 FCEDMO C=CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000121496298 527572824 /nfs/dbraw/zinc/57/28/24/527572824.db2.gz ZETNIQOUCXEGTQ-UHFFFAOYSA-N 1 1 373.425 0.916 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000246167711 528337071 /nfs/dbraw/zinc/33/70/71/528337071.db2.gz VALHDFGBGYHALW-SJLPKXTDSA-N 1 1 358.490 0.902 20 30 FCEDMO CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261977307 528811022 /nfs/dbraw/zinc/81/10/22/528811022.db2.gz NXXCGJRZXSBBFO-RCCFBDPRSA-N 1 1 361.538 0.977 20 30 FCEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261824696 528817423 /nfs/dbraw/zinc/81/74/23/528817423.db2.gz UXUIDFXUZFZRPR-KRWDZBQOSA-N 1 1 361.450 0.494 20 30 FCEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000410131230 529297719 /nfs/dbraw/zinc/29/77/19/529297719.db2.gz QDARYVORBHDYEK-HUUCEWRRSA-N 1 1 358.508 0.946 20 30 FCEDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000329260498 546551263 /nfs/dbraw/zinc/55/12/63/546551263.db2.gz DSKOWBARZDQPHJ-AWEZNQCLSA-N 1 1 369.491 0.295 20 30 FCEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000329399690 546554899 /nfs/dbraw/zinc/55/48/99/546554899.db2.gz YMIYETRNRFMFNI-CYBMUJFWSA-N 1 1 351.451 0.648 20 30 FCEDMO C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)S1(=O)=O ZINC000329614385 546559020 /nfs/dbraw/zinc/55/90/20/546559020.db2.gz PEVVNUNOPQPFEL-OKILXGFUSA-N 1 1 360.524 0.434 20 30 FCEDMO C[C@@H]1CN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)S1(=O)=O ZINC000329614387 546559194 /nfs/dbraw/zinc/55/91/94/546559194.db2.gz PEVVNUNOPQPFEL-ZIAGYGMSSA-N 1 1 360.524 0.434 20 30 FCEDMO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000329701979 546561188 /nfs/dbraw/zinc/56/11/88/546561188.db2.gz HQQDBEYQEJVEEY-OWCLPIDISA-N 1 1 352.479 0.606 20 30 FCEDMO CC1(C)CCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000592803983 546957342 /nfs/dbraw/zinc/95/73/42/546957342.db2.gz NFKSMVMAYPFFTB-UHFFFAOYSA-N 1 1 364.471 0.827 20 30 FCEDMO COCCOCC[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000593116245 546963847 /nfs/dbraw/zinc/96/38/47/546963847.db2.gz IXYSGLBXZLBHQL-UHFFFAOYSA-N 1 1 352.460 0.839 20 30 FCEDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000546569914 547040214 /nfs/dbraw/zinc/04/02/14/547040214.db2.gz ONAXTVUGZFHKTF-QGZVFWFLSA-N 1 1 365.455 0.560 20 30 FCEDMO C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000546589440 547042957 /nfs/dbraw/zinc/04/29/57/547042957.db2.gz TZGHBSZUIZKBCD-KRWDZBQOSA-N 1 1 362.455 0.814 20 30 FCEDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000551551755 547152616 /nfs/dbraw/zinc/15/26/16/547152616.db2.gz MTVXVNHYLSJNDP-HOTGVXAUSA-N 1 1 368.459 0.357 20 30 FCEDMO C[NH+](C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000553547440 547288244 /nfs/dbraw/zinc/28/82/44/547288244.db2.gz FMOUTRMBRYYOGH-GJZGRUSLSA-N 1 1 356.423 0.487 20 30 FCEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000330313552 568231985 /nfs/dbraw/zinc/23/19/85/568231985.db2.gz XGLSCMNNNUUTJA-CQSZACIVSA-N 1 1 362.434 0.220 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCS[C@@H](C)CC2)c1=O ZINC000191670901 674433143 /nfs/dbraw/zinc/43/31/43/674433143.db2.gz QRCSZNCVWSCZGH-ZDUSSCGKSA-N 1 1 352.460 0.329 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCS[C@@H](C)CC2)c1=O ZINC000191670901 674433145 /nfs/dbraw/zinc/43/31/45/674433145.db2.gz QRCSZNCVWSCZGH-ZDUSSCGKSA-N 1 1 352.460 0.329 20 30 FCEDMO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735380443 599313108 /nfs/dbraw/zinc/31/31/08/599313108.db2.gz HDXCHSVHPRPFNB-AWEZNQCLSA-N 1 1 353.430 0.295 20 30 FCEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823845349 608079926 /nfs/dbraw/zinc/07/99/26/608079926.db2.gz OYDMORYPWULZJI-AWEZNQCLSA-N 1 1 353.430 0.835 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 ZINC000924036409 663141765 /nfs/dbraw/zinc/14/17/65/663141765.db2.gz MSAYXUJRPKUUGQ-OAHLLOKOSA-N 1 1 351.447 0.431 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 ZINC000924036409 663141769 /nfs/dbraw/zinc/14/17/69/663141769.db2.gz MSAYXUJRPKUUGQ-OAHLLOKOSA-N 1 1 351.447 0.431 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cncs3)C[C@H]21 ZINC000972835586 663894761 /nfs/dbraw/zinc/89/47/61/663894761.db2.gz ZSQBYUKMCGSYQM-QLFBSQMISA-N 1 1 358.467 0.914 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cncs3)C[C@H]21 ZINC000972835586 663894764 /nfs/dbraw/zinc/89/47/64/663894764.db2.gz ZSQBYUKMCGSYQM-QLFBSQMISA-N 1 1 358.467 0.914 20 30 FCEDMO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCN(C)CC2)CC1 ZINC000303969264 674574009 /nfs/dbraw/zinc/57/40/09/674574009.db2.gz BPUWRTFPBSWSEQ-AWEZNQCLSA-N 1 1 354.499 0.148 20 30 FCEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC#C[C@H]2CCCCO2)C1 ZINC000893100568 664204757 /nfs/dbraw/zinc/20/47/57/664204757.db2.gz OCHVLIAVUJVALA-HZPDHXFCSA-N 1 1 350.463 0.446 20 30 FCEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001027501912 664418713 /nfs/dbraw/zinc/41/87/13/664418713.db2.gz JIZWHYGAEZDHAN-KURKYZTESA-N 1 1 351.491 0.975 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001028144690 664845311 /nfs/dbraw/zinc/84/53/11/664845311.db2.gz KFSYKWRAIVINDX-XHSDSOJGSA-N 1 1 351.447 0.017 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC001028144690 664845314 /nfs/dbraw/zinc/84/53/14/664845314.db2.gz KFSYKWRAIVINDX-XHSDSOJGSA-N 1 1 351.447 0.017 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001028803450 664952647 /nfs/dbraw/zinc/95/26/47/664952647.db2.gz WEYXOXAUFSHNDL-TUKIKUTGSA-N 1 1 362.455 0.591 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000991978149 666611537 /nfs/dbraw/zinc/61/15/37/666611537.db2.gz VWXLYUHFKUVDQO-XHSDSOJGSA-N 1 1 351.447 0.015 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000991978149 666611539 /nfs/dbraw/zinc/61/15/39/666611539.db2.gz VWXLYUHFKUVDQO-XHSDSOJGSA-N 1 1 351.447 0.015 20 30 FCEDMO C#CC[C@H](CO)NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000913890007 666664065 /nfs/dbraw/zinc/66/40/65/666664065.db2.gz KOVRNIRUXXMZNH-CABCVRRESA-N 1 1 350.488 0.720 20 30 FCEDMO C[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000914187689 666722609 /nfs/dbraw/zinc/72/26/09/666722609.db2.gz ONYUJYRKDHBGNS-ZDUSSCGKSA-N 1 1 356.517 0.923 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](O)C1 ZINC000961527938 674774016 /nfs/dbraw/zinc/77/40/16/674774016.db2.gz HTYJBUCCWFFBQB-ILXRZTDVSA-N 1 1 364.833 0.067 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](O)C1 ZINC000961527938 674774019 /nfs/dbraw/zinc/77/40/19/674774019.db2.gz HTYJBUCCWFFBQB-ILXRZTDVSA-N 1 1 364.833 0.067 20 30 FCEDMO Cc1cc(C=NN[C@H]2CCS(=O)(=O)C2)c(C)n1CC[NH+]1CCOCC1 ZINC000915933893 666985085 /nfs/dbraw/zinc/98/50/85/666985085.db2.gz QUGDQOIHVPSKEF-KRWDZBQOSA-N 1 1 368.503 0.548 20 30 FCEDMO CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000916239730 666996794 /nfs/dbraw/zinc/99/67/94/666996794.db2.gz IHZGGOLCCKSMDS-INIZCTEOSA-N 1 1 367.471 0.725 20 30 FCEDMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NN1CC[NH+](C)CC1 ZINC000916248254 666997491 /nfs/dbraw/zinc/99/74/91/666997491.db2.gz VZTCIZPJQFYFRK-GFCCVEGCSA-N 1 1 359.883 0.786 20 30 FCEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000919296824 667165702 /nfs/dbraw/zinc/16/57/02/667165702.db2.gz KVIXFRHSSRIATI-UHFFFAOYSA-N 1 1 354.407 0.092 20 30 FCEDMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000919303651 667166461 /nfs/dbraw/zinc/16/64/61/667166461.db2.gz DTCYFCPOZFBUIP-UHFFFAOYSA-N 1 1 372.397 0.231 20 30 FCEDMO Cc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000919303386 667166572 /nfs/dbraw/zinc/16/65/72/667166572.db2.gz ABVRJYVNABDLGW-UHFFFAOYSA-N 1 1 350.444 0.261 20 30 FCEDMO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000919788496 667200692 /nfs/dbraw/zinc/20/06/92/667200692.db2.gz FVOHSXQDCCTIND-OAHLLOKOSA-N 1 1 358.508 0.252 20 30 FCEDMO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000919788496 667200695 /nfs/dbraw/zinc/20/06/95/667200695.db2.gz FVOHSXQDCCTIND-OAHLLOKOSA-N 1 1 358.508 0.252 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csnn1)C2 ZINC000998731852 667219666 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CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129858260 1201406368 /nfs/dbraw/zinc/40/63/68/1201406368.db2.gz SKZRDTCISNHCKG-OAGGEKHMSA-N 1 1 353.430 0.486 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@@H]1n1ccnn1 ZINC001129863802 1201408121 /nfs/dbraw/zinc/40/81/21/1201408121.db2.gz KETKSKBORJWCHH-CABCVRRESA-N 1 1 350.386 0.228 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cncc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001129834165 1201409695 /nfs/dbraw/zinc/40/96/95/1201409695.db2.gz NXDRZNLVOKQWGA-CVEARBPZSA-N 1 1 369.429 0.422 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129943420 1201453970 /nfs/dbraw/zinc/45/39/70/1201453970.db2.gz ZSFUWICBTBXOCR-CVEARBPZSA-N 1 1 358.450 0.727 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H]([NH2+]Cc2cnnn2CC)[C@@H](n2ccnn2)C1 ZINC001129972626 1201459621 /nfs/dbraw/zinc/45/96/21/1201459621.db2.gz FSTZIBCJTDHJGP-SJORKVTESA-N 1 1 370.461 0.625 20 30 FCEDMO 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ZINC001130187814 1201528056 /nfs/dbraw/zinc/52/80/56/1201528056.db2.gz KTESHVUYKBWUQE-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC)n[nH]1 ZINC001130187814 1201528057 /nfs/dbraw/zinc/52/80/57/1201528057.db2.gz KTESHVUYKBWUQE-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[nH]1 ZINC001130187233 1201528554 /nfs/dbraw/zinc/52/85/54/1201528554.db2.gz XGLQQTOYEFXHAI-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1 ZINC001130193457 1201531616 /nfs/dbraw/zinc/53/16/16/1201531616.db2.gz YXZVYPSCJYBHOD-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C)c2)[nH]1 ZINC001130196209 1201533207 /nfs/dbraw/zinc/53/32/07/1201533207.db2.gz XESKXPSPQCNKAM-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)on2)[nH]1 ZINC001130183249 1201535779 /nfs/dbraw/zinc/53/57/79/1201535779.db2.gz YGNDTBGDCJSJED-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccoc2)[nH]1 ZINC001130204739 1201539657 /nfs/dbraw/zinc/53/96/57/1201539657.db2.gz IBAJBSPNGNYMQE-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130204708 1201539852 /nfs/dbraw/zinc/53/98/52/1201539852.db2.gz FYMCFIUFNQWVJD-MIVXPEEVSA-N 1 1 368.441 0.948 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130204708 1201539857 /nfs/dbraw/zinc/53/98/57/1201539857.db2.gz FYMCFIUFNQWVJD-MIVXPEEVSA-N 1 1 368.441 0.948 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cncnc2)n1 ZINC001130207719 1201541395 /nfs/dbraw/zinc/54/13/95/1201541395.db2.gz NCHLGQROSGWOIX-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cncnc2)n[nH]1 ZINC001130207719 1201541400 /nfs/dbraw/zinc/54/14/00/1201541400.db2.gz NCHLGQROSGWOIX-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130207610 1201541856 /nfs/dbraw/zinc/54/18/56/1201541856.db2.gz IYGUSVQCVZUVFF-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130207610 1201541859 /nfs/dbraw/zinc/54/18/59/1201541859.db2.gz IYGUSVQCVZUVFF-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOCC2CC2)n1 ZINC001130207702 1201542292 /nfs/dbraw/zinc/54/22/92/1201542292.db2.gz MSUOLXPFMANLNL-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOCC2CC2)n[nH]1 ZINC001130207702 1201542293 /nfs/dbraw/zinc/54/22/93/1201542293.db2.gz MSUOLXPFMANLNL-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C2CC2)n1 ZINC001130210194 1201544203 /nfs/dbraw/zinc/54/42/03/1201544203.db2.gz ZERYCMODQJOQKZ-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C2CC2)n[nH]1 ZINC001130210194 1201544206 /nfs/dbraw/zinc/54/42/06/1201544206.db2.gz ZERYCMODQJOQKZ-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)o2)[nH]1 ZINC001130202623 1201548596 /nfs/dbraw/zinc/54/85/96/1201548596.db2.gz FTULRBWHWPLYIY-GJZGRUSLSA-N 1 1 357.414 0.660 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]c(C)c2C)n1 ZINC001130202522 1201548986 /nfs/dbraw/zinc/54/89/86/1201548986.db2.gz AKIQHSRFWPBLBL-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]c(C)c2C)n[nH]1 ZINC001130202522 1201548990 /nfs/dbraw/zinc/54/89/90/1201548990.db2.gz AKIQHSRFWPBLBL-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n[nH]1 ZINC001130203026 1201549457 /nfs/dbraw/zinc/54/94/57/1201549457.db2.gz PXJXYSDOOKEJFX-RDBSUJKOSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@@H](C)F)n1 ZINC001130203026 1201549460 /nfs/dbraw/zinc/54/94/60/1201549460.db2.gz PXJXYSDOOKEJFX-RDBSUJKOSA-N 1 1 369.441 0.834 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccon2)n1 ZINC001130202944 1201550236 /nfs/dbraw/zinc/55/02/36/1201550236.db2.gz OXYIONATHJBZJW-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccon2)n[nH]1 ZINC001130202944 1201550240 /nfs/dbraw/zinc/55/02/40/1201550240.db2.gz OXYIONATHJBZJW-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]nc2C)n1 ZINC001130224906 1201553726 /nfs/dbraw/zinc/55/37/26/1201553726.db2.gz IJHUSVIPUBHZRJ-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]nc2C)n[nH]1 ZINC001130224906 1201553732 /nfs/dbraw/zinc/55/37/32/1201553732.db2.gz IJHUSVIPUBHZRJ-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2coc(OC)n2)n1 ZINC001130229768 1201556053 /nfs/dbraw/zinc/55/60/53/1201556053.db2.gz DTWIBCCCMCGPCA-JQWIXIFHSA-N 1 1 362.390 0.379 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2coc(OC)n2)n[nH]1 ZINC001130229768 1201556058 /nfs/dbraw/zinc/55/60/58/1201556058.db2.gz DTWIBCCCMCGPCA-JQWIXIFHSA-N 1 1 362.390 0.379 20 30 FCEDMO CC#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130230315 1201557014 /nfs/dbraw/zinc/55/70/14/1201557014.db2.gz RRWIAXWJOWEPFL-GJZGRUSLSA-N 1 1 363.462 0.459 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130230315 1201557021 /nfs/dbraw/zinc/55/70/21/1201557021.db2.gz RRWIAXWJOWEPFL-GJZGRUSLSA-N 1 1 363.462 0.459 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cnoc2)n1 ZINC001130230139 1201557391 /nfs/dbraw/zinc/55/73/91/1201557391.db2.gz NYACHCZDNBJEDS-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cnoc2)n[nH]1 ZINC001130230139 1201557394 /nfs/dbraw/zinc/55/73/94/1201557394.db2.gz NYACHCZDNBJEDS-KBPBESRZSA-N 1 1 358.402 0.137 20 30 FCEDMO C=CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130232736 1201557674 /nfs/dbraw/zinc/55/76/74/1201557674.db2.gz PSLXFTGMJXHDIQ-STQMWFEESA-N 1 1 364.450 0.115 20 30 FCEDMO C=CCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232736 1201557677 /nfs/dbraw/zinc/55/76/77/1201557677.db2.gz PSLXFTGMJXHDIQ-STQMWFEESA-N 1 1 364.450 0.115 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)n2C)n1 ZINC001130233108 1201557762 /nfs/dbraw/zinc/55/77/62/1201557762.db2.gz YFJDTVQILKXJRB-JSGCOSHPSA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)n2C)n[nH]1 ZINC001130233108 1201557765 /nfs/dbraw/zinc/55/77/65/1201557765.db2.gz YFJDTVQILKXJRB-JSGCOSHPSA-N 1 1 359.434 0.425 20 30 FCEDMO C#Cc1cncc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCC)n[nH]2)c1 ZINC001130234778 1201558777 /nfs/dbraw/zinc/55/87/77/1201558777.db2.gz LIRBGLZCMFZYRO-HOTGVXAUSA-N 1 1 368.441 0.983 20 30 FCEDMO C#Cc1cncc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCC)n2)c1 ZINC001130234778 1201558780 /nfs/dbraw/zinc/55/87/80/1201558780.db2.gz LIRBGLZCMFZYRO-HOTGVXAUSA-N 1 1 368.441 0.983 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2Cc3ccccc32)[nH]1 ZINC001130238030 1201559849 /nfs/dbraw/zinc/55/98/49/1201559849.db2.gz PSWAINYOSRYMFN-BBWFWOEESA-N 1 1 365.437 0.856 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C=C)n1 ZINC001130238037 1201559988 /nfs/dbraw/zinc/55/99/88/1201559988.db2.gz PZABBRJCLBJOLB-FZKCQIBNSA-N 1 1 373.457 0.497 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C=C)n[nH]1 ZINC001130238037 1201559996 /nfs/dbraw/zinc/55/99/96/1201559996.db2.gz PZABBRJCLBJOLB-FZKCQIBNSA-N 1 1 373.457 0.497 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCn2cccc2)n1 ZINC001130245169 1201565182 /nfs/dbraw/zinc/56/51/82/1201565182.db2.gz UTXJULBWMTVZLY-GJZGRUSLSA-N 1 1 358.446 0.961 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCn2cccc2)n[nH]1 ZINC001130245169 1201565187 /nfs/dbraw/zinc/56/51/87/1201565187.db2.gz UTXJULBWMTVZLY-GJZGRUSLSA-N 1 1 358.446 0.961 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CCCOC2)n1 ZINC001130248961 1201568504 /nfs/dbraw/zinc/56/85/04/1201568504.db2.gz CFAXCCAVLNUGCA-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CCCOC2)n[nH]1 ZINC001130248961 1201568507 /nfs/dbraw/zinc/56/85/07/1201568507.db2.gz CFAXCCAVLNUGCA-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2OC)[nH]1 ZINC001130249039 1201568796 /nfs/dbraw/zinc/56/87/96/1201568796.db2.gz GYIJDIBUIYHNLI-JSGCOSHPSA-N 1 1 370.413 0.234 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(OC)c2)[nH]1 ZINC001130251385 1201570335 /nfs/dbraw/zinc/57/03/35/1201570335.db2.gz QZSYELWUVHDBFX-HOTGVXAUSA-N 1 1 369.425 0.839 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(OC)c2)n[nH]1 ZINC001130251385 1201570341 /nfs/dbraw/zinc/57/03/41/1201570341.db2.gz QZSYELWUVHDBFX-HOTGVXAUSA-N 1 1 369.425 0.839 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)[C@@H](O)C1 ZINC001219956992 1224700469 /nfs/dbraw/zinc/70/04/69/1224700469.db2.gz VNRCYLOCGCWWET-SJORKVTESA-N 1 1 358.442 0.859 20 30 FCEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001220047587 1224736438 /nfs/dbraw/zinc/73/64/38/1224736438.db2.gz FNZNNZSPZSDJQT-XHSDSOJGSA-N 1 1 363.462 0.497 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001130586940 1202723372 /nfs/dbraw/zinc/72/33/72/1202723372.db2.gz DCRITLCHGFPNDT-FUHWJXTLSA-N 1 1 371.441 0.841 20 30 FCEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130602927 1202732595 /nfs/dbraw/zinc/73/25/95/1202732595.db2.gz VFFBSSGUVMAWNM-GOEBONIOSA-N 1 1 357.462 0.989 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001130664706 1202747714 /nfs/dbraw/zinc/74/77/14/1202747714.db2.gz YLYGEZMLDBBSNJ-DZGCQCFKSA-N 1 1 358.450 0.384 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccn3)n[nH]2)O1 ZINC001130761640 1202778396 /nfs/dbraw/zinc/77/83/96/1202778396.db2.gz FGNNNPSHRUPFPH-QLFBSQMISA-N 1 1 371.445 0.712 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(CC)n[nH]3)n[nH]2)O1 ZINC001130757791 1202780213 /nfs/dbraw/zinc/78/02/13/1202780213.db2.gz GUTJSEFCEONRFD-DZGCQCFKSA-N 1 1 371.445 0.853 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3COCCO3)n[nH]2)O1 ZINC001130757610 1202780373 /nfs/dbraw/zinc/78/03/73/1202780373.db2.gz BREKOXUNOJNTFF-BFHYXJOUSA-N 1 1 365.434 0.222 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CN(C)C(C)=O)n[nH]2)O1 ZINC001130758340 1202781577 /nfs/dbraw/zinc/78/15/77/1202781577.db2.gz YDYIADOHMBUXFQ-UONOGXRCSA-N 1 1 364.450 0.285 20 30 FCEDMO 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CS[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112050899 846324401 /nfs/dbraw/zinc/32/44/01/846324401.db2.gz BKSKNPPOVZLVKU-IVZWLZJFSA-N 1 1 352.382 0.357 20 30 FCEDMO CS[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112050900 846327113 /nfs/dbraw/zinc/32/71/13/846327113.db2.gz BKSKNPPOVZLVKU-OPRDCNLKSA-N 1 1 352.382 0.357 20 30 FCEDMO CN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)CSCC#N)C[C@H]1C(F)(F)F ZINC001112052853 846329009 /nfs/dbraw/zinc/32/90/09/846329009.db2.gz FJBGJQQOTRELJR-NXEZZACHSA-N 1 1 352.382 0.310 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C(F)(F)F ZINC001112057723 846334735 /nfs/dbraw/zinc/33/47/35/846334735.db2.gz INXLPIGPIAYXEM-ZYHUDNBSSA-N 1 1 357.336 0.060 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C(F)(F)F ZINC001112057723 846334745 /nfs/dbraw/zinc/33/47/45/846334745.db2.gz INXLPIGPIAYXEM-ZYHUDNBSSA-N 1 1 357.336 0.060 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C(F)(F)F 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C[N@@H+](CC(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)Cc1ccccc1 ZINC001129484929 1201331808 /nfs/dbraw/zinc/33/18/08/1201331808.db2.gz QARWVQFZKJEDCR-SJORKVTESA-N 1 1 353.430 0.275 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129490364 1201332744 /nfs/dbraw/zinc/33/27/44/1201332744.db2.gz DBAIWRRRDYLGHZ-OWCLPIDISA-N 1 1 362.478 0.747 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129490364 1201332746 /nfs/dbraw/zinc/33/27/46/1201332746.db2.gz DBAIWRRRDYLGHZ-OWCLPIDISA-N 1 1 362.478 0.747 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129497034 1201335593 /nfs/dbraw/zinc/33/55/93/1201335593.db2.gz YOVKRMXJUKTNNZ-ZACQAIPSSA-N 1 1 363.462 0.781 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001129844686 1201404242 /nfs/dbraw/zinc/40/42/42/1201404242.db2.gz IAXISFXYAOVHNA-SJORKVTESA-N 1 1 354.414 0.255 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)c2c[nH]cc3ncnc2-3)C[C@@H]1n1ccnn1 ZINC001129863760 1201408376 /nfs/dbraw/zinc/40/83/76/1201408376.db2.gz IZZWCQKDJMAOHL-CABCVRRESA-N 1 1 352.402 0.781 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1n1ccnn1 ZINC001130020661 1201474573 /nfs/dbraw/zinc/47/45/73/1201474573.db2.gz QRINNMJFTRMIIW-SJORKVTESA-N 1 1 371.445 0.737 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCOCC2)n1 ZINC001130175578 1201521719 /nfs/dbraw/zinc/52/17/19/1201521719.db2.gz PSZPMKGATNOURV-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCOCC2)n[nH]1 ZINC001130175578 1201521722 /nfs/dbraw/zinc/52/17/22/1201521722.db2.gz PSZPMKGATNOURV-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnccn2)n1 ZINC001130177542 1201522689 /nfs/dbraw/zinc/52/26/89/1201522689.db2.gz GSXPEUVLVJWSRR-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnccn2)n[nH]1 ZINC001130177542 1201522695 /nfs/dbraw/zinc/52/26/95/1201522695.db2.gz GSXPEUVLVJWSRR-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=COCCO2)n1 ZINC001130181935 1201525936 /nfs/dbraw/zinc/52/59/36/1201525936.db2.gz YKGCQHOAKGPPIP-STQMWFEESA-N 1 1 363.418 0.347 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=COCCO2)n[nH]1 ZINC001130181935 1201525939 /nfs/dbraw/zinc/52/59/39/1201525939.db2.gz YKGCQHOAKGPPIP-STQMWFEESA-N 1 1 363.418 0.347 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2C)n1 ZINC001130186598 1201526731 /nfs/dbraw/zinc/52/67/31/1201526731.db2.gz GWVOZGUWEYKRLC-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2C)n[nH]1 ZINC001130186598 1201526736 /nfs/dbraw/zinc/52/67/36/1201526736.db2.gz GWVOZGUWEYKRLC-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)n[nH]2)n1 ZINC001130187163 1201527861 /nfs/dbraw/zinc/52/78/61/1201527861.db2.gz VHBMMEZSUIDXJE-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)n[nH]2)n[nH]1 ZINC001130187163 1201527865 /nfs/dbraw/zinc/52/78/65/1201527865.db2.gz VHBMMEZSUIDXJE-JSGCOSHPSA-N 1 1 359.434 0.804 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCCC=C)[nH]1 ZINC001130190590 1201528919 /nfs/dbraw/zinc/52/89/19/1201528919.db2.gz GZGLISVCARXXNC-KKUMJFAQSA-N 1 1 361.446 0.497 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)n(C)n2)[nH]1 ZINC001130188020 1201529335 /nfs/dbraw/zinc/52/93/35/1201529335.db2.gz VHFRCRMBSSQWGQ-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC2CC2)n1 ZINC001130188123 1201529430 /nfs/dbraw/zinc/52/94/30/1201529430.db2.gz ZYIHWIGEVFGMGP-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC2CC2)n[nH]1 ZINC001130188123 1201529435 /nfs/dbraw/zinc/52/94/35/1201529435.db2.gz ZYIHWIGEVFGMGP-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCOCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130195750 1201531351 /nfs/dbraw/zinc/53/13/51/1201531351.db2.gz AWCBXEGJQCLWKO-KBPBESRZSA-N 1 1 369.441 0.835 20 30 FCEDMO C=CCOCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130195750 1201531357 /nfs/dbraw/zinc/53/13/57/1201531357.db2.gz AWCBXEGJQCLWKO-KBPBESRZSA-N 1 1 369.441 0.835 20 30 FCEDMO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001130195987 1201532911 /nfs/dbraw/zinc/53/29/11/1201532911.db2.gz MQSGRCHSTSANOA-JSGCOSHPSA-N 1 1 357.418 0.807 20 30 FCEDMO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001130195987 1201532915 /nfs/dbraw/zinc/53/29/15/1201532915.db2.gz MQSGRCHSTSANOA-JSGCOSHPSA-N 1 1 357.418 0.807 20 30 FCEDMO CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1 ZINC001130196004 1201533038 /nfs/dbraw/zinc/53/30/38/1201533038.db2.gz NJNCKERXJIIPNS-MCYXTJRDSA-N 1 1 361.446 0.499 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1 ZINC001130205324 1201540777 /nfs/dbraw/zinc/54/07/77/1201540777.db2.gz VXPXGXIWNAEFFU-LUNKNMTDSA-N 1 1 354.414 0.558 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130205324 1201540779 /nfs/dbraw/zinc/54/07/79/1201540779.db2.gz VXPXGXIWNAEFFU-LUNKNMTDSA-N 1 1 354.414 0.558 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnn2CC)n1 ZINC001130205004 1201540856 /nfs/dbraw/zinc/54/08/56/1201540856.db2.gz PGRBTBMFGKFQDN-JSGCOSHPSA-N 1 1 359.434 0.599 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2CC)n[nH]1 ZINC001130205004 1201540858 /nfs/dbraw/zinc/54/08/58/1201540858.db2.gz PGRBTBMFGKFQDN-JSGCOSHPSA-N 1 1 359.434 0.599 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C(F)F)[nH]1 ZINC001130207670 1201541434 /nfs/dbraw/zinc/54/14/34/1201541434.db2.gz LSQORJWZUTXMKX-CYDGBPFRSA-N 1 1 367.400 0.808 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCOCC2)n1 ZINC001130207731 1201541632 /nfs/dbraw/zinc/54/16/32/1201541632.db2.gz NLGCJZJPRQNCHL-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCOCC2)n[nH]1 ZINC001130207731 1201541636 /nfs/dbraw/zinc/54/16/36/1201541636.db2.gz NLGCJZJPRQNCHL-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO CC(C)(C)C#CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130207773 1201541723 /nfs/dbraw/zinc/54/17/23/1201541723.db2.gz OXTGLRXKKKTMQJ-KBPBESRZSA-N 1 1 363.462 0.315 20 30 FCEDMO CC(C)(C)C#CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130207773 1201541726 /nfs/dbraw/zinc/54/17/26/1201541726.db2.gz OXTGLRXKKKTMQJ-KBPBESRZSA-N 1 1 363.462 0.315 20 30 FCEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130207689 1201541829 /nfs/dbraw/zinc/54/18/29/1201541829.db2.gz MDQKAJUGMKFRPX-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130207689 1201541833 /nfs/dbraw/zinc/54/18/33/1201541833.db2.gz MDQKAJUGMKFRPX-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001130209648 1201542715 /nfs/dbraw/zinc/54/27/15/1201542715.db2.gz IZRSSEYCFDJADI-NUXNZHGMSA-N 1 1 361.446 0.496 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2COC3)n[nH]1 ZINC001130209648 1201542721 /nfs/dbraw/zinc/54/27/21/1201542721.db2.gz IZRSSEYCFDJADI-NUXNZHGMSA-N 1 1 361.446 0.496 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OC)C2CC2)n1 ZINC001130209928 1201543878 /nfs/dbraw/zinc/54/38/78/1201543878.db2.gz RANKGVYHQLYPSY-DZKIICNBSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OC)C2CC2)n[nH]1 ZINC001130209928 1201543882 /nfs/dbraw/zinc/54/38/82/1201543882.db2.gz RANKGVYHQLYPSY-DZKIICNBSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OC)C2CC2)n1 ZINC001130209929 1201544171 /nfs/dbraw/zinc/54/41/71/1201544171.db2.gz RANKGVYHQLYPSY-OFQRWUPVSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OC)C2CC2)n[nH]1 ZINC001130209929 1201544173 /nfs/dbraw/zinc/54/41/73/1201544173.db2.gz RANKGVYHQLYPSY-OFQRWUPVSA-N 1 1 361.446 0.331 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130210045 1201544177 /nfs/dbraw/zinc/54/41/77/1201544177.db2.gz SQRRAXYQXJQSDX-DEYYWGMASA-N 1 1 363.462 0.786 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130210045 1201544181 /nfs/dbraw/zinc/54/41/81/1201544181.db2.gz SQRRAXYQXJQSDX-DEYYWGMASA-N 1 1 363.462 0.786 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnn3c2CCC3)n1 ZINC001130216273 1201546970 /nfs/dbraw/zinc/54/69/70/1201546970.db2.gz QVIVHWIULDMMFV-WFASDCNBSA-N 1 1 371.445 0.526 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn3c2CCC3)n[nH]1 ZINC001130216273 1201546976 /nfs/dbraw/zinc/54/69/76/1201546976.db2.gz QVIVHWIULDMMFV-WFASDCNBSA-N 1 1 371.445 0.526 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2COC(=O)C2)n1 ZINC001130200295 1201547720 /nfs/dbraw/zinc/54/77/20/1201547720.db2.gz GWGZNLWJGKFIAU-AGIUHOORSA-N 1 1 363.418 0.022 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2COC(=O)C2)n[nH]1 ZINC001130200295 1201547725 /nfs/dbraw/zinc/54/77/25/1201547725.db2.gz GWGZNLWJGKFIAU-AGIUHOORSA-N 1 1 363.418 0.022 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2)n1 ZINC001130203024 1201550161 /nfs/dbraw/zinc/55/01/61/1201550161.db2.gz PWMGTJFVDGNRAC-KBPBESRZSA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2)n[nH]1 ZINC001130203024 1201550163 /nfs/dbraw/zinc/55/01/63/1201550163.db2.gz PWMGTJFVDGNRAC-KBPBESRZSA-N 1 1 355.402 0.010 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]nnc2C)n1 ZINC001130225186 1201554159 /nfs/dbraw/zinc/55/41/59/1201554159.db2.gz WUNJSDHUDRFIPJ-RYUDHWBXSA-N 1 1 360.422 0.199 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]nnc2C)n[nH]1 ZINC001130225186 1201554162 /nfs/dbraw/zinc/55/41/62/1201554162.db2.gz WUNJSDHUDRFIPJ-RYUDHWBXSA-N 1 1 360.422 0.199 20 30 FCEDMO CCCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(N)=O)n1 ZINC001130232375 1201557337 /nfs/dbraw/zinc/55/73/37/1201557337.db2.gz FPGVXESIELXONT-STQMWFEESA-N 1 1 366.466 0.339 20 30 FCEDMO CCCCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(N)=O)n[nH]1 ZINC001130232375 1201557341 /nfs/dbraw/zinc/55/73/41/1201557341.db2.gz FPGVXESIELXONT-STQMWFEESA-N 1 1 366.466 0.339 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]cc2F)n1 ZINC001130232149 1201557348 /nfs/dbraw/zinc/55/73/48/1201557348.db2.gz ASQRPOHAQSFHIO-JQWIXIFHSA-N 1 1 363.397 0.635 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]cc2F)n[nH]1 ZINC001130232149 1201557351 /nfs/dbraw/zinc/55/73/51/1201557351.db2.gz ASQRPOHAQSFHIO-JQWIXIFHSA-N 1 1 363.397 0.635 20 30 FCEDMO C=C1CCC(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCO)n[nH]2)CC1 ZINC001130234573 1201558000 /nfs/dbraw/zinc/55/80/00/1201558000.db2.gz AYMBOLDPHKCDSY-GJZGRUSLSA-N 1 1 363.462 0.622 20 30 FCEDMO C=C1CCC(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCO)n2)CC1 ZINC001130234573 1201558005 /nfs/dbraw/zinc/55/80/05/1201558005.db2.gz AYMBOLDPHKCDSY-GJZGRUSLSA-N 1 1 363.462 0.622 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C(C)C)[nH]1 ZINC001130235062 1201559616 /nfs/dbraw/zinc/55/96/16/1201559616.db2.gz SSOZETSTMIMBFF-DZKIICNBSA-N 1 1 363.462 0.577 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]c(C)nc2C)n1 ZINC001130238136 1201561612 /nfs/dbraw/zinc/56/16/12/1201561612.db2.gz VSSWDAREPSEXNL-STQMWFEESA-N 1 1 359.434 0.723 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]c(C)nc2C)n[nH]1 ZINC001130238136 1201561616 /nfs/dbraw/zinc/56/16/16/1201561616.db2.gz VSSWDAREPSEXNL-STQMWFEESA-N 1 1 359.434 0.723 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnoc2CC)[nH]1 ZINC001130242205 1201563053 /nfs/dbraw/zinc/56/30/53/1201563053.db2.gz LUULATURZKWQKL-FZMZJTMJSA-N 1 1 358.402 0.380 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)n2cccc2)[nH]1 ZINC001130246347 1201566101 /nfs/dbraw/zinc/56/61/01/1201566101.db2.gz GXILUGJAIUYKCZ-PMPSAXMXSA-N 1 1 370.457 0.969 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(CC)on2)n1 ZINC001130247147 1201567528 /nfs/dbraw/zinc/56/75/28/1201567528.db2.gz WKJFZYIUVGXNPX-JSGCOSHPSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(CC)on2)n[nH]1 ZINC001130247147 1201567529 /nfs/dbraw/zinc/56/75/29/1201567529.db2.gz WKJFZYIUVGXNPX-JSGCOSHPSA-N 1 1 360.418 0.933 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc3c([nH]2)CCC3)[nH]1 ZINC001130249013 1201569288 /nfs/dbraw/zinc/56/92/88/1201569288.db2.gz FRKMPNZYDIXWLQ-BBRMVZONSA-N 1 1 368.441 0.647 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc3c([nH]2)CCC3)n[nH]1 ZINC001130249013 1201569290 /nfs/dbraw/zinc/56/92/90/1201569290.db2.gz FRKMPNZYDIXWLQ-BBRMVZONSA-N 1 1 368.441 0.647 20 30 FCEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130293059 1201578613 /nfs/dbraw/zinc/57/86/13/1201578613.db2.gz KTMRNZPMWYBQMQ-PBHICJAKSA-N 1 1 364.490 0.549 20 30 FCEDMO C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnn[nH]2)CC1 ZINC001130293046 1201578857 /nfs/dbraw/zinc/57/88/57/1201578857.db2.gz KGUHVURIADHMNO-PBHICJAKSA-N 1 1 360.462 0.860 20 30 FCEDMO CCc1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC#CCOC)C2)n[nH]1 ZINC001130502506 1201602717 /nfs/dbraw/zinc/60/27/17/1201602717.db2.gz QFGMSYAZYHLXAO-MAUKXSAKSA-N 1 1 370.457 0.553 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)cc2)[C@@H](O)C1 ZINC001219955122 1224699258 /nfs/dbraw/zinc/69/92/58/1224699258.db2.gz IBNLUMJAIAXQPA-MSOLQXFVSA-N 1 1 361.442 0.300 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@@H](O)C1 ZINC001219970559 1224706611 /nfs/dbraw/zinc/70/66/11/1224706611.db2.gz SAXGGRFLRYOUNI-XYPHTWIQSA-N 1 1 361.442 0.680 20 30 FCEDMO C=CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001130534717 1202710463 /nfs/dbraw/zinc/71/04/63/1202710463.db2.gz BPQIXEOYIRRSCY-VNHYZAJKSA-N 1 1 358.450 0.555 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130583776 1202722972 /nfs/dbraw/zinc/72/29/72/1202722972.db2.gz QIYXMHHYCVFPFT-GOEBONIOSA-N 1 1 355.446 0.292 20 30 FCEDMO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)[nH]1 ZINC001130583804 1202723007 /nfs/dbraw/zinc/72/30/07/1202723007.db2.gz RVUDEEGEJSWUMW-GOEBONIOSA-N 1 1 355.446 0.590 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001130578690 1202724767 /nfs/dbraw/zinc/72/47/67/1202724767.db2.gz ZEQFELGHISFXDA-DOTOQJQBSA-N 1 1 369.473 0.919 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130578672 1202724944 /nfs/dbraw/zinc/72/49/44/1202724944.db2.gz YDDCDOCGSWPVAI-DOTOQJQBSA-N 1 1 355.446 0.436 20 30 FCEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001130602596 1202732067 /nfs/dbraw/zinc/73/20/67/1202732067.db2.gz JUEXAUUQSLKBSL-DOTOQJQBSA-N 1 1 357.462 0.989 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130644414 1202745776 /nfs/dbraw/zinc/74/57/76/1202745776.db2.gz QWWQPMNYRVLDKP-DOTOQJQBSA-N 1 1 369.473 0.826 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130712787 1202759424 /nfs/dbraw/zinc/75/94/24/1202759424.db2.gz LVGWTGJEFTYUDU-SUNYJGFJSA-N 1 1 369.473 0.803 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130712787 1202759425 /nfs/dbraw/zinc/75/94/25/1202759425.db2.gz LVGWTGJEFTYUDU-SUNYJGFJSA-N 1 1 369.473 0.803 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130713032 1202760214 /nfs/dbraw/zinc/76/02/14/1202760214.db2.gz ZMQQTGGCUHTGTM-SUNYJGFJSA-N 1 1 367.457 0.251 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130713032 1202760219 /nfs/dbraw/zinc/76/02/19/1202760219.db2.gz ZMQQTGGCUHTGTM-SUNYJGFJSA-N 1 1 367.457 0.251 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)cn3)n[nH]2)O1 ZINC001130753157 1202776180 /nfs/dbraw/zinc/77/61/80/1202776180.db2.gz UJWXPOXWDZSQCJ-DZGCQCFKSA-N 1 1 369.429 0.666 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(=O)OC)n[nH]2)O1 ZINC001130761953 1202777835 /nfs/dbraw/zinc/77/78/35/1202777835.db2.gz JNESQJRNGNHIGD-NWDGAFQWSA-N 1 1 366.422 0.163 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)on3)n[nH]2)O1 ZINC001130757968 1202780432 /nfs/dbraw/zinc/78/04/32/1202780432.db2.gz OEQTWRLLSFQYAD-GXTWGEPZSA-N 1 1 358.402 0.864 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(=O)OC)n[nH]2)O1 ZINC001130759941 1202781931 /nfs/dbraw/zinc/78/19/31/1202781931.db2.gz SAMDURAANKVQGD-NWDGAFQWSA-N 1 1 366.422 0.163 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n[nH]3)n[nH]2)O1 ZINC001130759709 1202782475 /nfs/dbraw/zinc/78/24/75/1202782475.db2.gz GVXIYWDMJPILQB-GXTWGEPZSA-N 1 1 357.418 0.599 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC3CC3)n[nH]2)O1 ZINC001130765575 1202784283 /nfs/dbraw/zinc/78/42/83/1202784283.db2.gz YDEHERFBCBQJAN-VHDGCEQUSA-N 1 1 361.446 0.679 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3C)n[nH]2)O1 ZINC001130767946 1202785863 /nfs/dbraw/zinc/78/58/63/1202785863.db2.gz VOJXSIDROTWNOI-GXTWGEPZSA-N 1 1 357.418 0.829 20 30 FCEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130767767 1202786066 /nfs/dbraw/zinc/78/60/66/1202786066.db2.gz RFRWYAPRVPWBRT-LSDHHAIUSA-N 1 1 361.446 0.847 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(C)c3)n[nH]2)O1 ZINC001130769358 1202786204 /nfs/dbraw/zinc/78/62/04/1202786204.db2.gz FNEWKCBVMLMQIH-LSDHHAIUSA-N 1 1 371.445 0.230 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ocnc3C)n[nH]2)O1 ZINC001130772165 1202787216 /nfs/dbraw/zinc/78/72/16/1202787216.db2.gz BGSTWEVJXWPJHN-QWHCGFSZSA-N 1 1 358.402 0.864 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(=O)[nH]3)n[nH]2)O1 ZINC001130772151 1202787592 /nfs/dbraw/zinc/78/75/92/1202787592.db2.gz ASXIGUUFVVJLGT-GXTWGEPZSA-N 1 1 370.413 0.668 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130785239 1202789011 /nfs/dbraw/zinc/78/90/11/1202789011.db2.gz HCVCFIAIWLDMIC-LSDHHAIUSA-N 1 1 359.430 0.294 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCCF)O2)n1 ZINC001130778245 1202791603 /nfs/dbraw/zinc/79/16/03/1202791603.db2.gz NHKQENFVBQKUOV-AHIWAGSCSA-N 1 1 369.441 0.917 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncnc3)n[nH]2)O1 ZINC001130780998 1202793127 /nfs/dbraw/zinc/79/31/27/1202793127.db2.gz KAYHJJJBZTYPBT-LSDHHAIUSA-N 1 1 371.445 0.839 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncnc3)n[nH]2)O1 ZINC001130781185 1202793234 /nfs/dbraw/zinc/79/32/34/1202793234.db2.gz SHPLBUWXBDXNBX-LSDHHAIUSA-N 1 1 369.429 0.287 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]34C[C@H]3COC4)n[nH]2)O1 ZINC001130783282 1202794463 /nfs/dbraw/zinc/79/44/63/1202794463.db2.gz VKWNDEVIJVJJOH-FLTUCWPJSA-N 1 1 361.446 0.843 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3(OC)CCC3)n[nH]2)O1 ZINC001130783215 1202794745 /nfs/dbraw/zinc/79/47/45/1202794745.db2.gz QNJXFCAPRFDAGQ-UONOGXRCSA-N 1 1 361.446 0.823 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccc(=O)[nH]c3)n[nH]2)O1 ZINC001130794326 1202794926 /nfs/dbraw/zinc/79/49/26/1202794926.db2.gz RYOVYILNMUZKOO-UONOGXRCSA-N 1 1 370.413 0.207 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CC(N)=O)n[nH]2)O1 ZINC001130793860 1202794963 /nfs/dbraw/zinc/79/49/63/1202794963.db2.gz CZUKYMJMZNEIBC-FRRDWIJNSA-N 1 1 364.450 0.318 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3OCC[C@H]3CC)n[nH]2)O1 ZINC001130787196 1202796634 /nfs/dbraw/zinc/79/66/34/1202796634.db2.gz DKKAZVOIIBQOSL-CTASWTNQSA-N 1 1 361.446 0.679 20 30 FCEDMO C=CCC(CC=C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130787461 1202796905 /nfs/dbraw/zinc/79/69/05/1202796905.db2.gz SQQVURVDEMRXNU-LSDHHAIUSA-N 1 1 363.462 0.991 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)ncn3C)n[nH]2)O1 ZINC001130787465 1202797129 /nfs/dbraw/zinc/79/71/29/1202797129.db2.gz SXCFNRQLVLAPJQ-UONOGXRCSA-N 1 1 371.445 0.610 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3nccn3)n[nH]2)O1 ZINC001130787386 1202797381 /nfs/dbraw/zinc/79/73/81/1202797381.db2.gz NXQAXPZHTVHJOP-QWHCGFSZSA-N 1 1 360.422 0.098 20 30 FCEDMO 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C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001211094796 1223725739 /nfs/dbraw/zinc/72/57/39/1223725739.db2.gz RNAZMAKRDIIHRD-IUODEOHRSA-N 1 1 368.441 0.146 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 ZINC001211128986 1223725989 /nfs/dbraw/zinc/72/59/89/1223725989.db2.gz YGAZQBJPYRXMAF-QLFBSQMISA-N 1 1 366.506 0.666 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CC(C)(C)C)C1 ZINC001211128986 1223725993 /nfs/dbraw/zinc/72/59/93/1223725993.db2.gz YGAZQBJPYRXMAF-QLFBSQMISA-N 1 1 366.506 0.666 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCOc2cccnc2)C1 ZINC001211191996 1223729179 /nfs/dbraw/zinc/72/91/79/1223729179.db2.gz ZMHUOVLHPIOUCD-NVXWUHKLSA-N 1 1 358.442 0.427 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCOc2cccnc2)C1 ZINC001211191996 1223729180 /nfs/dbraw/zinc/72/91/80/1223729180.db2.gz ZMHUOVLHPIOUCD-NVXWUHKLSA-N 1 1 358.442 0.427 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 ZINC001211241765 1223730715 /nfs/dbraw/zinc/73/07/15/1223730715.db2.gz NSLIPSSXYYFKMI-BZUAXINKSA-N 1 1 364.490 0.209 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 ZINC001211241765 1223730716 /nfs/dbraw/zinc/73/07/16/1223730716.db2.gz NSLIPSSXYYFKMI-BZUAXINKSA-N 1 1 364.490 0.209 20 30 FCEDMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001211232744 1223730789 /nfs/dbraw/zinc/73/07/89/1223730789.db2.gz VUWKPVWBMSACHS-GDBMZVCRSA-N 1 1 356.426 0.320 20 30 FCEDMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001211232744 1223730793 /nfs/dbraw/zinc/73/07/93/1223730793.db2.gz VUWKPVWBMSACHS-GDBMZVCRSA-N 1 1 356.426 0.320 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3cnn(C)c3)C2)C1=O ZINC001211307053 1223733465 /nfs/dbraw/zinc/73/34/65/1223733465.db2.gz NEODKLBBJFNUTP-DJIMGWMZSA-N 1 1 359.474 0.576 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001211427408 1223741220 /nfs/dbraw/zinc/74/12/20/1223741220.db2.gz GIHSKHQVIQKRKZ-BRWVUGGUSA-N 1 1 369.506 0.945 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001211427408 1223741225 /nfs/dbraw/zinc/74/12/25/1223741225.db2.gz GIHSKHQVIQKRKZ-BRWVUGGUSA-N 1 1 369.506 0.945 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOCCOC)C1 ZINC001211433615 1223741533 /nfs/dbraw/zinc/74/15/33/1223741533.db2.gz NUCHXYJYWSRWQQ-IAGOWNOFSA-N 1 1 367.490 0.677 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCOCCOC)C1 ZINC001211433615 1223741536 /nfs/dbraw/zinc/74/15/36/1223741536.db2.gz NUCHXYJYWSRWQQ-IAGOWNOFSA-N 1 1 367.490 0.677 20 30 FCEDMO C#CC[C@H](CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C)c1ccccc1 ZINC001211473208 1223747787 /nfs/dbraw/zinc/74/77/87/1223747787.db2.gz FUHHWQKGLAGBNZ-DJIMGWMZSA-N 1 1 370.453 0.815 20 30 FCEDMO C#CC[C@H](CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)c1ccccc1 ZINC001211473208 1223747793 /nfs/dbraw/zinc/74/77/93/1223747793.db2.gz FUHHWQKGLAGBNZ-DJIMGWMZSA-N 1 1 370.453 0.815 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001211478351 1223749163 /nfs/dbraw/zinc/74/91/63/1223749163.db2.gz OYGQPGGTOCJDFL-UMVBOHGHSA-N 1 1 361.446 0.616 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(OCC)cn2)C1 ZINC001211478351 1223749167 /nfs/dbraw/zinc/74/91/67/1223749167.db2.gz OYGQPGGTOCJDFL-UMVBOHGHSA-N 1 1 361.446 0.616 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nc1 ZINC000978095639 1248701652 /nfs/dbraw/zinc/70/16/52/1248701652.db2.gz HDGCRCSHCPBLLN-UWWQBHOKSA-N 1 1 370.453 0.455 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nc1 ZINC000978095639 1248701656 /nfs/dbraw/zinc/70/16/56/1248701656.db2.gz HDGCRCSHCPBLLN-UWWQBHOKSA-N 1 1 370.453 0.455 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)[C@H](OC)C1 ZINC001213245908 1223776399 /nfs/dbraw/zinc/77/63/99/1223776399.db2.gz HGIHJWKLFPBQMX-HUUCEWRRSA-N 1 1 364.446 0.029 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cnn(C)c3C2)[C@H](OC)C1 ZINC001213329100 1223786230 /nfs/dbraw/zinc/78/62/30/1223786230.db2.gz QRCUVRSACPPMJE-YXJHDRRASA-N 1 1 362.474 0.543 20 30 FCEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]2OC)CC1 ZINC001213377112 1223792148 /nfs/dbraw/zinc/79/21/48/1223792148.db2.gz YLIVDJACIRDNHN-RCCFBDPRSA-N 1 1 370.490 0.572 20 30 FCEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]2OC)CC1 ZINC001213387492 1223793205 /nfs/dbraw/zinc/79/32/05/1223793205.db2.gz ZNRLINDUXLHRFF-BRWVUGGUSA-N 1 1 362.474 0.806 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)[C@H](OC)C1 ZINC001213440537 1223798907 /nfs/dbraw/zinc/79/89/07/1223798907.db2.gz TWHIXIGVFLDVJJ-CGTJXYLNSA-N 1 1 362.474 0.772 20 30 FCEDMO C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213446883 1223799875 /nfs/dbraw/zinc/79/98/75/1223799875.db2.gz XRXWKJUMHIQITB-ARFHVFGLSA-N 1 1 366.506 0.224 20 30 FCEDMO C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213449943 1223800777 /nfs/dbraw/zinc/80/07/77/1223800777.db2.gz YDMMMWZKSNENEJ-BZUAXINKSA-N 1 1 368.522 0.470 20 30 FCEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1OC ZINC001213537010 1223810448 /nfs/dbraw/zinc/81/04/48/1223810448.db2.gz ALUMFWBCWPVHOD-RCCFBDPRSA-N 1 1 360.458 0.868 20 30 FCEDMO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1OC ZINC001213537010 1223810449 /nfs/dbraw/zinc/81/04/49/1223810449.db2.gz ALUMFWBCWPVHOD-RCCFBDPRSA-N 1 1 360.458 0.868 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)[C@H](OC)C1 ZINC001213569712 1223815044 /nfs/dbraw/zinc/81/50/44/1223815044.db2.gz WSEYBHIYGUYXKL-HUUCEWRRSA-N 1 1 359.430 0.726 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H](OC)C1 ZINC001213644781 1223826498 /nfs/dbraw/zinc/82/64/98/1223826498.db2.gz CTVWEVYZUILQMX-ZMSDIMECSA-N 1 1 363.462 0.710 20 30 FCEDMO C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767056 1223846650 /nfs/dbraw/zinc/84/66/50/1223846650.db2.gz FJGJLHDWTZGQRA-IAGOWNOFSA-N 1 1 368.522 0.568 20 30 FCEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](OC)C1 ZINC001213798875 1223852236 /nfs/dbraw/zinc/85/22/36/1223852236.db2.gz SNEHWDRRHOCUJO-HZPDHXFCSA-N 1 1 367.494 0.676 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001213829646 1223856601 /nfs/dbraw/zinc/85/66/01/1223856601.db2.gz XUJPCBOAEZKSSV-RRFJBIMHSA-N 1 1 366.462 0.536 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCN2C(=O)CNC2=O)[C@H](OC)C1 ZINC001213833315 1223857366 /nfs/dbraw/zinc/85/73/66/1223857366.db2.gz HRNSNZKGVJGVRM-RRFJBIMHSA-N 1 1 366.462 0.489 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)COc2ccc(C(N)=O)cc2)[C@H](OC)C1 ZINC001213884634 1223867500 /nfs/dbraw/zinc/86/75/00/1223867500.db2.gz WUYOPWUTESZHDP-IAGOWNOFSA-N 1 1 361.442 0.946 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H](OC)C1 ZINC001213885385 1223867704 /nfs/dbraw/zinc/86/77/04/1223867704.db2.gz DPDXGNLHEDBPQK-KZNAEPCWSA-N 1 1 367.490 0.796 20 30 FCEDMO CO[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001213892502 1223868300 /nfs/dbraw/zinc/86/83/00/1223868300.db2.gz JDVYCAQFBLKOFU-RTBURBONSA-N 1 1 369.465 0.866 20 30 FCEDMO CO[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001213892502 1223868303 /nfs/dbraw/zinc/86/83/03/1223868303.db2.gz JDVYCAQFBLKOFU-RTBURBONSA-N 1 1 369.465 0.866 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3nnc(C)n3C2)[C@H](OC)C1 ZINC001213901346 1223869586 /nfs/dbraw/zinc/86/95/86/1223869586.db2.gz QNMWIHGXLTYAPP-ARFHVFGLSA-N 1 1 363.462 0.167 20 30 FCEDMO CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001213901018 1223869770 /nfs/dbraw/zinc/86/97/70/1223869770.db2.gz HMPIRAINVREPIF-RTBURBONSA-N 1 1 369.465 0.770 20 30 FCEDMO CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)CC#Cc1ccccc1 ZINC001213901018 1223869772 /nfs/dbraw/zinc/86/97/72/1223869772.db2.gz HMPIRAINVREPIF-RTBURBONSA-N 1 1 369.465 0.770 20 30 FCEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CNC(=O)C1CCC1 ZINC001213916960 1223871857 /nfs/dbraw/zinc/87/18/57/1223871857.db2.gz SXJWJGIVVQTVMU-QZTJIDSGSA-N 1 1 370.453 0.790 20 30 FCEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CNC(=O)C1CCC1 ZINC001213916960 1223871858 /nfs/dbraw/zinc/87/18/58/1223871858.db2.gz SXJWJGIVVQTVMU-QZTJIDSGSA-N 1 1 370.453 0.790 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001214287726 1223899902 /nfs/dbraw/zinc/89/99/02/1223899902.db2.gz AEFMHXWXHTUIKZ-QLFBSQMISA-N 1 1 363.462 0.726 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2C2CCOCC2)C1 ZINC001214333668 1223902083 /nfs/dbraw/zinc/90/20/83/1223902083.db2.gz HXAWIBFNLSASEP-UKRRQHHQSA-N 1 1 364.450 0.164 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001214535096 1223919466 /nfs/dbraw/zinc/91/94/66/1223919466.db2.gz GLZKEWIZRACGLE-OGWOLHLISA-N 1 1 370.457 0.926 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001214604433 1223925394 /nfs/dbraw/zinc/92/53/94/1223925394.db2.gz BLWVCFRITAVZJF-HLLBOEOZSA-N 1 1 368.441 0.637 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C1 ZINC001214610587 1223925653 /nfs/dbraw/zinc/92/56/53/1223925653.db2.gz ADEDZWSXWHNNKR-NVXWUHKLSA-N 1 1 368.441 0.639 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC001214605037 1223925683 /nfs/dbraw/zinc/92/56/83/1223925683.db2.gz SWOBELVECCFWLC-VNHYZAJKSA-N 1 1 370.413 0.501 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2-c2ccccn2)C[C@H]1C ZINC001214814432 1223944857 /nfs/dbraw/zinc/94/48/57/1223944857.db2.gz URMMVLDTBBFJEH-CZUORRHYSA-N 1 1 368.441 0.824 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H]1C ZINC001215094537 1223972952 /nfs/dbraw/zinc/97/29/52/1223972952.db2.gz GLLLQSWNRZUVOR-RDTXWAMCSA-N 1 1 365.437 0.876 20 30 FCEDMO C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@H]2C)c1 ZINC001215288293 1223989084 /nfs/dbraw/zinc/98/90/84/1223989084.db2.gz NRTIYFUALIRZDC-MLGOLLRUSA-N 1 1 366.425 0.783 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)C[C@H]1C ZINC001215456384 1224000822 /nfs/dbraw/zinc/00/08/22/1224000822.db2.gz SVSXAXMPILNJSK-XOKHGSTOSA-N 1 1 363.462 0.096 20 30 FCEDMO Cc1cc2c[nH]nc2c(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)c1 ZINC001215919922 1224024681 /nfs/dbraw/zinc/02/46/81/1224024681.db2.gz AOTZXHPWXHORFZ-IUODEOHRSA-N 1 1 354.414 0.561 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(C)nc32)C[C@H]1C ZINC001216213164 1224039186 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ZINC001327206229 1265253692 /nfs/dbraw/zinc/25/36/92/1265253692.db2.gz MJBBCWCXQHNXGT-IAFNSTAXSA-N 1 1 355.398 0.471 20 30 FCEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)N2CC[NH+]([C@H](C)CC)CC2)n1 ZINC001327260661 1265269148 /nfs/dbraw/zinc/26/91/48/1265269148.db2.gz HNAKIRBIXRGOEE-MRXNPFEDSA-N 1 1 359.474 0.808 20 30 FCEDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)ncc1C#N ZINC001327620050 1265377025 /nfs/dbraw/zinc/37/70/25/1265377025.db2.gz ZQZGXPNLAOBPMS-AWEZNQCLSA-N 1 1 358.446 0.342 20 30 FCEDMO N#CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC001327699340 1265399581 /nfs/dbraw/zinc/39/95/81/1265399581.db2.gz XHEDPRLQXJPFRC-DLBZAZTESA-N 1 1 356.426 0.948 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(OCCO)c(OC)c2)C1 ZINC001333214582 1266557926 /nfs/dbraw/zinc/55/79/26/1266557926.db2.gz HOINFLJOGZTBEQ-MRXNPFEDSA-N 1 1 361.442 0.963 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OCCO)c(OC)c2)C1 ZINC001333214582 1266557931 /nfs/dbraw/zinc/55/79/31/1266557931.db2.gz HOINFLJOGZTBEQ-MRXNPFEDSA-N 1 1 361.442 0.963 20 30 FCEDMO N#C[C@@H]1C[C@@H]1c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1C[C@H]1CCOC1 ZINC001526163666 1266787101 /nfs/dbraw/zinc/78/71/01/1266787101.db2.gz WMXAMBKKNGUGMP-TWMKSMIVSA-N 1 1 372.473 0.853 20 30 FCEDMO CC(C)(C#N)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@H]1CCOC1 ZINC001526305357 1266800377 /nfs/dbraw/zinc/80/03/77/1266800377.db2.gz UOUXONKELALBHW-HUUCEWRRSA-N 1 1 360.462 0.637 20 30 FCEDMO CC(C)(C#N)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@H]1CCOC1 ZINC001526305357 1266800383 /nfs/dbraw/zinc/80/03/83/1266800383.db2.gz UOUXONKELALBHW-HUUCEWRRSA-N 1 1 360.462 0.637 20 30 FCEDMO C=CCC1(O)CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001334485236 1267030890 /nfs/dbraw/zinc/03/08/90/1267030890.db2.gz QGKDEBAPUXDPJI-HNNXBMFYSA-N 1 1 353.463 0.001 20 30 FCEDMO C#CCN(C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC001334615503 1267107703 /nfs/dbraw/zinc/10/77/03/1267107703.db2.gz OARZPNDCQJZNHM-UHFFFAOYSA-N 1 1 371.485 0.580 20 30 FCEDMO CO/N=C/c1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001548397882 1267696680 /nfs/dbraw/zinc/69/66/80/1267696680.db2.gz YIMARLXHKJAISX-HMMYKYKNSA-N 1 1 373.457 0.792 20 30 FCEDMO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@@H+]1CCO ZINC001338565511 1267988163 /nfs/dbraw/zinc/98/81/63/1267988163.db2.gz OLTTYRHXYCCIQB-MRXNPFEDSA-N 1 1 370.453 0.826 20 30 FCEDMO CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC[N@H+]1CCO ZINC001338565511 1267988167 /nfs/dbraw/zinc/98/81/67/1267988167.db2.gz OLTTYRHXYCCIQB-MRXNPFEDSA-N 1 1 370.453 0.826 20 30 FCEDMO CN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001338603579 1268000688 /nfs/dbraw/zinc/00/06/88/1268000688.db2.gz BXYPELRXAZZZMH-QGZVFWFLSA-N 1 1 369.469 0.665 20 30 FCEDMO C=CCn1c([C@@H]2CCCN2C(C)=O)nnc1N1CC[NH+](CCOC)CC1 ZINC001338638772 1268019484 /nfs/dbraw/zinc/01/94/84/1268019484.db2.gz JIWRFMXHTCHSSB-INIZCTEOSA-N 1 1 362.478 0.916 20 30 FCEDMO Cn1c(-c2ccnc3c(C#N)cnn32)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001338735940 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354.480 0.346 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](CS(N)(=O)=O)C1 ZINC001339774459 1268327105 /nfs/dbraw/zinc/32/71/05/1268327105.db2.gz MLNMNQGVBMGQRI-QWHCGFSZSA-N 1 1 354.480 0.346 20 30 FCEDMO C=CCn1c(CN2CCC(O)CC2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340445209 1268549424 /nfs/dbraw/zinc/54/94/24/1268549424.db2.gz WHZIFVYWGAFGJV-UHFFFAOYSA-N 1 1 364.494 0.189 20 30 FCEDMO C=CCn1c(-c2ncc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001340526283 1268576448 /nfs/dbraw/zinc/57/64/48/1268576448.db2.gz HAUJXZBQIIPCSR-AWEZNQCLSA-N 1 1 370.461 0.597 20 30 FCEDMO C=CCn1c(N2CC[C@@H](C[NH+]3CCOCC3)C2)nnc1[C@]1(O)CCOC1 ZINC001340623532 1268607489 /nfs/dbraw/zinc/60/74/89/1268607489.db2.gz IITOMBFLJCRRQA-YJBOKZPZSA-N 1 1 363.462 0.231 20 30 FCEDMO C=CCn1c(N2CC[C@H](C[NH+]3CCOCC3)C2)nnc1[C@]1(O)CCOC1 ZINC001340623528 1268608048 /nfs/dbraw/zinc/60/80/48/1268608048.db2.gz IITOMBFLJCRRQA-QAPCUYQASA-N 1 1 363.462 0.231 20 30 FCEDMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n(CCC#N)n1 ZINC001340844046 1268679118 /nfs/dbraw/zinc/67/91/18/1268679118.db2.gz QHYMSWGIXGIHCS-UHFFFAOYSA-N 1 1 374.445 0.367 20 30 FCEDMO CCn1c(N2CC[NH+]([C@H]3CCOC3)CC2)nnc1C1(C#N)CCOCC1 ZINC001340949352 1268720059 /nfs/dbraw/zinc/72/00/59/1268720059.db2.gz DFKDXBRKQCETIL-HNNXBMFYSA-N 1 1 360.462 0.781 20 30 FCEDMO C[N@H+]1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001554355893 1268761504 /nfs/dbraw/zinc/76/15/04/1268761504.db2.gz CHBKFWXYCVFPJY-MSOLQXFVSA-N 1 1 371.420 0.849 20 30 FCEDMO C=C(C)Cn1c([C@@H](C)O)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001342011845 1269303983 /nfs/dbraw/zinc/30/39/83/1269303983.db2.gz XDXUWJPBSVWMSN-CQSZACIVSA-N 1 1 353.467 0.691 20 30 FCEDMO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001342105238 1269350616 /nfs/dbraw/zinc/35/06/16/1269350616.db2.gz HRJDYBZERXZYII-LBPRGKRZSA-N 1 1 355.402 0.749 20 30 FCEDMO C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001342207018 1269399225 /nfs/dbraw/zinc/39/92/25/1269399225.db2.gz CDDITPUHVAZQOO-HUUCEWRRSA-N 1 1 360.462 0.054 20 30 FCEDMO C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001342207018 1269399231 /nfs/dbraw/zinc/39/92/31/1269399231.db2.gz CDDITPUHVAZQOO-HUUCEWRRSA-N 1 1 360.462 0.054 20 30 FCEDMO C#CC[NH2+]CC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC001343213592 1269815941 /nfs/dbraw/zinc/81/59/41/1269815941.db2.gz JNNRNXUEHUSNQV-UHFFFAOYSA-N 1 1 354.410 0.661 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+](CCOCCOC)CC2)nnc1C1(O)CC1 ZINC001343680229 1269980572 /nfs/dbraw/zinc/98/05/72/1269980572.db2.gz UTZUNBINGVLPIQ-UHFFFAOYSA-N 1 1 365.478 0.621 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)[C@H](C)C1 ZINC001574866256 1271616732 /nfs/dbraw/zinc/61/67/32/1271616732.db2.gz CJGLNXKHGBBYCR-QLFBSQMISA-N 1 1 360.462 0.297 20 30 FCEDMO C#CCN(C(=O)CCCc1c[nH]nn1)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001574895447 1271657535 /nfs/dbraw/zinc/65/75/35/1271657535.db2.gz UZYQKKYQAWPGLP-OAHLLOKOSA-N 1 1 374.489 0.530 20 30 FCEDMO C#CCN(C(=O)c1cc(OCC)n[nH]1)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001574928525 1271680629 /nfs/dbraw/zinc/68/06/29/1271680629.db2.gz OSIRLEBOUJBMNW-UHFFFAOYSA-N 1 1 371.445 0.709 20 30 FCEDMO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575004313 1271689937 /nfs/dbraw/zinc/68/99/37/1271689937.db2.gz DHNQKFYKEQFNDZ-QAPCUYQASA-N 1 1 358.490 0.867 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCCCCc2cn[nH]n2)C1 ZINC001575004799 1271690365 /nfs/dbraw/zinc/69/03/65/1271690365.db2.gz MMEYCYGPCFRICE-INIZCTEOSA-N 1 1 360.462 0.238 20 30 FCEDMO C#CC[NH2+]C1CC2(CC(NC(=O)C3CCN(Cc4c[nH]nn4)CC3)C2)C1 ZINC001575005268 1271690456 /nfs/dbraw/zinc/69/04/56/1271690456.db2.gz ZAQYXFSKJZUBAZ-UHFFFAOYSA-N 1 1 356.474 0.667 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCc2c[nH]nn2)C[C@@H]1C ZINC001575005234 1271690761 /nfs/dbraw/zinc/69/07/61/1271690761.db2.gz XVHNUBPSCQYGAU-GJZGRUSLSA-N 1 1 360.462 0.236 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCc2c[nH]nn2)C[C@@H]1C ZINC001575005234 1271690768 /nfs/dbraw/zinc/69/07/68/1271690768.db2.gz XVHNUBPSCQYGAU-GJZGRUSLSA-N 1 1 360.462 0.236 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CCCC2(CN(C(=O)CCCCc3c[nH]nn3)C2)C1 ZINC001575004746 1271691069 /nfs/dbraw/zinc/69/10/69/1271691069.db2.gz KXDJYDCWXDBYSN-UHFFFAOYSA-N 1 1 372.473 0.191 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CCCC2(CN(C(=O)CCCCc3c[nH]nn3)C2)C1 ZINC001575004746 1271691075 /nfs/dbraw/zinc/69/10/75/1271691075.db2.gz KXDJYDCWXDBYSN-UHFFFAOYSA-N 1 1 372.473 0.191 20 30 FCEDMO C#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]CCc3c[nH]nn3)C2)cn1 ZINC001575022312 1271696428 /nfs/dbraw/zinc/69/64/28/1271696428.db2.gz NWTKWUJOJBLBHP-QGZVFWFLSA-N 1 1 354.414 0.244 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575021532 1271697012 /nfs/dbraw/zinc/69/70/12/1271697012.db2.gz HHPITBMEQJGGCS-ZIAGYGMSSA-N 1 1 368.441 0.541 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCc3cn[nH]n3)C2)c1 ZINC001575032387 1271698308 /nfs/dbraw/zinc/69/83/08/1271698308.db2.gz 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CCC[N@@H+](C)CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@@H](n2ccnn2)C1 ZINC001089089193 1196893932 /nfs/dbraw/zinc/89/39/32/1196893932.db2.gz BBWYWEDFUYXPCT-CABCVRRESA-N 1 1 369.433 0.146 20 30 FCEDMO Cc1nn(C)c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083682495 1197027037 /nfs/dbraw/zinc/02/70/37/1197027037.db2.gz ABBYLONHBFFODG-SJORKVTESA-N 1 1 353.426 0.884 20 30 FCEDMO Cc1nn(C)c(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083682495 1197027041 /nfs/dbraw/zinc/02/70/41/1197027041.db2.gz ABBYLONHBFFODG-SJORKVTESA-N 1 1 353.426 0.884 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000923595404 1197031048 /nfs/dbraw/zinc/03/10/48/1197031048.db2.gz RQZYWCHDWUSOPT-OAHLLOKOSA-N 1 1 359.426 0.647 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)C1 ZINC000923595404 1197031056 /nfs/dbraw/zinc/03/10/56/1197031056.db2.gz RQZYWCHDWUSOPT-OAHLLOKOSA-N 1 1 359.426 0.647 20 30 FCEDMO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083693816 1197084195 /nfs/dbraw/zinc/08/41/95/1197084195.db2.gz VNEXYINUIFKJQX-ZACQAIPSSA-N 1 1 356.426 0.230 20 30 FCEDMO CN1C(=O)CC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083693816 1197084199 /nfs/dbraw/zinc/08/41/99/1197084199.db2.gz VNEXYINUIFKJQX-ZACQAIPSSA-N 1 1 356.426 0.230 20 30 FCEDMO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001106142702 1197283041 /nfs/dbraw/zinc/28/30/41/1197283041.db2.gz WAUSCMSPOINCCJ-QLFBSQMISA-N 1 1 360.462 0.530 20 30 FCEDMO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@]3(C)C2)C1 ZINC000992813807 1197521951 /nfs/dbraw/zinc/52/19/51/1197521951.db2.gz CWZKSXFQSWGYAZ-MUKKUYKPSA-N 1 1 355.442 0.759 20 30 FCEDMO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CCC(=O)NC1 ZINC001083716215 1197554629 /nfs/dbraw/zinc/55/46/29/1197554629.db2.gz RGDURPNELSPSSG-JTDSTZFVSA-N 1 1 356.426 0.136 20 30 FCEDMO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CCC(=O)NC1 ZINC001083716215 1197554639 /nfs/dbraw/zinc/55/46/39/1197554639.db2.gz RGDURPNELSPSSG-JTDSTZFVSA-N 1 1 356.426 0.136 20 30 FCEDMO C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[C@H](CC(=O)N3CC(CC#N)C3)O[C@H]2C1 ZINC001273317990 1197808712 /nfs/dbraw/zinc/80/87/12/1197808712.db2.gz ZDFJDNQFQLSGHJ-NCOADZHNSA-N 1 1 360.458 0.459 20 30 FCEDMO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)n1C ZINC001083728225 1197853809 /nfs/dbraw/zinc/85/38/09/1197853809.db2.gz LBWCWTRSIXVYJF-AEFFLSMTSA-N 1 1 369.425 0.606 20 30 FCEDMO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)n1C ZINC001083728225 1197853812 /nfs/dbraw/zinc/85/38/12/1197853812.db2.gz LBWCWTRSIXVYJF-AEFFLSMTSA-N 1 1 369.425 0.606 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](CCNc3cnc(C#N)cn3)C2)O1 ZINC001066398793 1198176410 /nfs/dbraw/zinc/17/64/10/1198176410.db2.gz KRVKGALQCBCTTF-IJEWVQPXSA-N 1 1 358.446 0.718 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](CCNc3cnc(C#N)cn3)C2)O1 ZINC001066398793 1198176424 /nfs/dbraw/zinc/17/64/24/1198176424.db2.gz KRVKGALQCBCTTF-IJEWVQPXSA-N 1 1 358.446 0.718 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129327230 1198234098 /nfs/dbraw/zinc/23/40/98/1198234098.db2.gz QMGPGEPLUWWXGP-CVEARBPZSA-N 1 1 362.478 0.844 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129327230 1198234107 /nfs/dbraw/zinc/23/41/07/1198234107.db2.gz QMGPGEPLUWWXGP-CVEARBPZSA-N 1 1 362.478 0.844 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1O ZINC001219487440 1224485061 /nfs/dbraw/zinc/48/50/61/1224485061.db2.gz RGLDPRDATKPQJX-IPELMVKDSA-N 1 1 369.465 0.092 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@@H]1O ZINC001219492706 1224486593 /nfs/dbraw/zinc/48/65/93/1224486593.db2.gz XESXTTVIPAQWSB-SJORKVTESA-N 1 1 365.474 0.027 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccc3c(c2)CCC3)C[C@@H]1O ZINC001219492512 1224486695 /nfs/dbraw/zinc/48/66/95/1224486695.db2.gz OLVVWHPMAAGRIX-KYNGSXCRSA-N 1 1 369.465 0.537 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cc(C)ccc2C)C[C@@H]1O ZINC001219492732 1224486933 /nfs/dbraw/zinc/48/69/33/1224486933.db2.gz YAQMCCBWCXVLAS-NXHRZFHOSA-N 1 1 357.454 0.665 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001219536499 1224501827 /nfs/dbraw/zinc/50/18/27/1224501827.db2.gz SAPVKAQACMCGSH-ZIFCJYIRSA-N 1 1 364.442 0.562 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOc2cccc(OC)c2)C[C@@H]1O ZINC001219536499 1224501833 /nfs/dbraw/zinc/50/18/33/1224501833.db2.gz SAPVKAQACMCGSH-ZIFCJYIRSA-N 1 1 364.442 0.562 20 30 FCEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H](C)O1 ZINC000746353384 1199007802 /nfs/dbraw/zinc/00/78/02/1199007802.db2.gz FAIPPQNCRFTPAM-CHWSQXEVSA-N 1 1 362.434 0.349 20 30 FCEDMO N#CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000746364307 1199011556 /nfs/dbraw/zinc/01/15/56/1199011556.db2.gz HMEJYNZHLAFYOR-HNNXBMFYSA-N 1 1 360.418 0.058 20 30 FCEDMO Cn1nnc2cc(C[N@H+]3C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C3)ccc21 ZINC001219596411 1224522154 /nfs/dbraw/zinc/52/21/54/1224522154.db2.gz ULRFRGAWRRALMA-WBVHZDCISA-N 1 1 355.442 0.679 20 30 FCEDMO Cn1nnc2cc(C[N@@H+]3C[C@@H](NC(=O)C#CC(C)(C)C)[C@@H](O)C3)ccc21 ZINC001219596411 1224522158 /nfs/dbraw/zinc/52/21/58/1224522158.db2.gz ULRFRGAWRRALMA-WBVHZDCISA-N 1 1 355.442 0.679 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2ncccn2)[C@@H](n2ccnn2)C1 ZINC001129332309 1199069784 /nfs/dbraw/zinc/06/97/84/1199069784.db2.gz CZDHBYQQNBKNLF-CVEARBPZSA-N 1 1 371.445 0.245 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](n2ccnn2)C1 ZINC001129347852 1199093603 /nfs/dbraw/zinc/09/36/03/1199093603.db2.gz HJTVGGHNKLDCFF-WBVHZDCISA-N 1 1 370.461 0.901 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001129348086 1199096933 /nfs/dbraw/zinc/09/69/33/1199096933.db2.gz JVYQMGLIXQIBAA-RYRKJORJSA-N 1 1 363.462 0.639 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001129348086 1199096943 /nfs/dbraw/zinc/09/69/43/1199096943.db2.gz JVYQMGLIXQIBAA-RYRKJORJSA-N 1 1 363.462 0.639 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOc2cc(C)ccc2C)C[C@@H]1O ZINC001219607662 1224527145 /nfs/dbraw/zinc/52/71/45/1224527145.db2.gz WLRAVMXAJCWCLV-KSZLIROESA-N 1 1 360.454 0.882 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOc2cc(C)ccc2C)C[C@@H]1O ZINC001219607662 1224527153 /nfs/dbraw/zinc/52/71/53/1224527153.db2.gz WLRAVMXAJCWCLV-KSZLIROESA-N 1 1 360.454 0.882 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cnc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001129366461 1199123924 /nfs/dbraw/zinc/12/39/24/1199123924.db2.gz RBJYLSZLQRULSB-CABCVRRESA-N 1 1 357.418 0.698 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@@H](O)C1 ZINC001219614042 1224528528 /nfs/dbraw/zinc/52/85/28/1224528528.db2.gz ZWBIPTGDLKQTKD-CVEARBPZSA-N 1 1 365.430 0.084 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@@H](O)C1 ZINC001219614042 1224528531 /nfs/dbraw/zinc/52/85/31/1224528531.db2.gz ZWBIPTGDLKQTKD-CVEARBPZSA-N 1 1 365.430 0.084 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1O ZINC001219613704 1224529068 /nfs/dbraw/zinc/52/90/68/1224529068.db2.gz OSHKLMQMVILHHY-MOPGFXCFSA-N 1 1 353.422 0.936 20 30 FCEDMO COc1cc(CCC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)on1 ZINC001219708828 1224568609 /nfs/dbraw/zinc/56/86/09/1224568609.db2.gz CBBIGPWDNAXHKH-SJORKVTESA-N 1 1 370.409 0.849 20 30 FCEDMO COc1cc(CCC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)on1 ZINC001219708828 1224568625 /nfs/dbraw/zinc/56/86/25/1224568625.db2.gz CBBIGPWDNAXHKH-SJORKVTESA-N 1 1 370.409 0.849 20 30 FCEDMO 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CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001086623234 1201340908 /nfs/dbraw/zinc/34/09/08/1201340908.db2.gz SLYOOIAAAQSQGG-JKSUJKDBSA-N 1 1 363.421 0.797 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001086623234 1201340914 /nfs/dbraw/zinc/34/09/14/1201340914.db2.gz SLYOOIAAAQSQGG-JKSUJKDBSA-N 1 1 363.421 0.797 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001086623190 1201341407 /nfs/dbraw/zinc/34/14/07/1201341407.db2.gz PJKQQTQEBKOSQG-DLBZAZTESA-N 1 1 368.437 0.488 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001129680826 1201368371 /nfs/dbraw/zinc/36/83/71/1201368371.db2.gz BWFACJCPELKZMB-UAGQMJEPSA-N 1 1 371.445 0.682 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001129681501 1201369229 /nfs/dbraw/zinc/36/92/29/1201369229.db2.gz RXDQTFNMWMFHMT-CVEARBPZSA-N 1 1 360.393 0.557 20 30 FCEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@@H](O)C1 ZINC001219897096 1224674109 /nfs/dbraw/zinc/67/41/09/1224674109.db2.gz XDWDVUPTZPXQTO-ZNMIVQPWSA-N 1 1 365.478 0.678 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001129795333 1201390818 /nfs/dbraw/zinc/39/08/18/1201390818.db2.gz GAAWLUZFECIIGQ-VYDXJSESSA-N 1 1 360.418 0.443 20 30 FCEDMO COc1nccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)n1 ZINC001129825466 1201402142 /nfs/dbraw/zinc/40/21/42/1201402142.db2.gz WMIUFONSIVWRKQ-CVEARBPZSA-N 1 1 369.429 0.278 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001129830020 1201403578 /nfs/dbraw/zinc/40/35/78/1201403578.db2.gz SNBMRWGMOPVEEV-MAZHCROVSA-N 1 1 358.402 0.155 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129845824 1201404459 /nfs/dbraw/zinc/40/44/59/1201404459.db2.gz VQKGGJWYCAKXRG-MSOLQXFVSA-N 1 1 371.416 0.999 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H]1n1ccnn1 ZINC001129844086 1201404527 /nfs/dbraw/zinc/40/45/27/1201404527.db2.gz BHZUGNMREWHOSJ-XKQJLSEDSA-N 1 1 353.430 0.486 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001129833768 1201409146 /nfs/dbraw/zinc/40/91/46/1201409146.db2.gz DTRBZPMCTZZHAC-UAGQMJEPSA-N 1 1 353.430 0.974 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1n1ccnn1 ZINC001129910461 1201423102 /nfs/dbraw/zinc/42/31/02/1201423102.db2.gz UQILBKPNTFXISF-IKGGRYGDSA-N 1 1 362.478 0.307 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)c2nc[nH]c2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129896020 1201430184 /nfs/dbraw/zinc/43/01/84/1201430184.db2.gz OAGOUWQOWLKUQX-MNOVXSKESA-N 1 1 367.335 0.699 20 30 FCEDMO CCCc1cc(C(=O)N2C[C@@H]([NH2+]CC#CCOC)[C@@H](n3ccnn3)C2)n[nH]1 ZINC001129952115 1201448125 /nfs/dbraw/zinc/44/81/25/1201448125.db2.gz IMSMFEJLVFXSMS-SJORKVTESA-N 1 1 371.445 0.259 20 30 FCEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001129977975 1201460557 /nfs/dbraw/zinc/46/05/57/1201460557.db2.gz MODDJXSPQMPQHN-BMFZPTHFSA-N 1 1 358.450 0.551 20 30 FCEDMO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CCC(=C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001130137290 1201515081 /nfs/dbraw/zinc/51/50/81/1201515081.db2.gz ROCGPNYFVSHSSC-MOPGFXCFSA-N 1 1 370.501 0.931 20 30 FCEDMO C=CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)[C@@H](n2ccnn2)C1 ZINC001130151392 1201517459 /nfs/dbraw/zinc/51/74/59/1201517459.db2.gz OZRURDWMBNHXHI-OIISXLGYSA-N 1 1 356.430 0.806 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130151517 1201517579 /nfs/dbraw/zinc/51/75/79/1201517579.db2.gz UVTSLLKEJOOLAK-IMJJTQAJSA-N 1 1 360.418 0.707 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOC)n1 ZINC001130175087 1201521266 /nfs/dbraw/zinc/52/12/66/1201521266.db2.gz BPKXCDGSAMPKPP-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOC)n[nH]1 ZINC001130175087 1201521269 /nfs/dbraw/zinc/52/12/69/1201521269.db2.gz BPKXCDGSAMPKPP-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO CC[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1 ZINC001130186443 1201526672 /nfs/dbraw/zinc/52/66/72/1201526672.db2.gz CZJTVOZLVAPUHU-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CC)c2)[nH]1 ZINC001130195765 1201531650 /nfs/dbraw/zinc/53/16/50/1201531650.db2.gz BJMOQWWISLDOPK-KBPBESRZSA-N 1 1 357.418 0.046 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(CC)c2)n[nH]1 ZINC001130195765 1201531652 /nfs/dbraw/zinc/53/16/52/1201531652.db2.gz BJMOQWWISLDOPK-KBPBESRZSA-N 1 1 357.418 0.046 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCOC2)n1 ZINC001130193276 1201532120 /nfs/dbraw/zinc/53/21/20/1201532120.db2.gz PZTHMRNXJFYXAW-ILXRZTDVSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCOC2)n[nH]1 ZINC001130193276 1201532122 /nfs/dbraw/zinc/53/21/22/1201532122.db2.gz PZTHMRNXJFYXAW-ILXRZTDVSA-N 1 1 361.446 0.333 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C#N)c[nH]2)[nH]1 ZINC001130195950 1201532541 /nfs/dbraw/zinc/53/25/41/1201532541.db2.gz KKEIDBBFOPLIRS-ZFWWWQNUSA-N 1 1 367.413 0.420 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC=C)[nH]1 ZINC001130196196 1201532592 /nfs/dbraw/zinc/53/25/92/1201532592.db2.gz WNPNFGDMDRXUSO-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CCOC2)n1 ZINC001130198638 1201534649 /nfs/dbraw/zinc/53/46/49/1201534649.db2.gz SFYTZMBVXIEOMV-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CCOC2)n[nH]1 ZINC001130198638 1201534653 /nfs/dbraw/zinc/53/46/53/1201534653.db2.gz SFYTZMBVXIEOMV-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C=Cc2ccc[nH]2)n1 ZINC001130204707 1201539267 /nfs/dbraw/zinc/53/92/67/1201539267.db2.gz FYMCFIUFNQWVJD-KQLNYGGHSA-N 1 1 368.441 0.948 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C=Cc2ccc[nH]2)n[nH]1 ZINC001130204707 1201539270 /nfs/dbraw/zinc/53/92/70/1201539270.db2.gz FYMCFIUFNQWVJD-KQLNYGGHSA-N 1 1 368.441 0.948 20 30 FCEDMO C#CCCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130204719 1201539377 /nfs/dbraw/zinc/53/93/77/1201539377.db2.gz GQVNOBMPHBPJAD-GJZGRUSLSA-N 1 1 363.462 0.459 20 30 FCEDMO C#CCCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130204719 1201539382 /nfs/dbraw/zinc/53/93/82/1201539382.db2.gz GQVNOBMPHBPJAD-GJZGRUSLSA-N 1 1 363.462 0.459 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCCC)n1 ZINC001130203079 1201539759 /nfs/dbraw/zinc/53/97/59/1201539759.db2.gz RWFKYHKUORWZBS-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCCC)n[nH]1 ZINC001130203079 1201539764 /nfs/dbraw/zinc/53/97/64/1201539764.db2.gz RWFKYHKUORWZBS-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)nn2)n1 ZINC001130207727 1201541906 /nfs/dbraw/zinc/54/19/06/1201541906.db2.gz NHQNBJCWCCTVHG-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)nn2)n[nH]1 ZINC001130207727 1201541908 /nfs/dbraw/zinc/54/19/08/1201541908.db2.gz NHQNBJCWCCTVHG-JSGCOSHPSA-N 1 1 357.418 0.481 20 30 FCEDMO COCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)(C)C)n1 ZINC001130207841 1201542061 /nfs/dbraw/zinc/54/20/61/1201542061.db2.gz RZIFUKBCTBWJND-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO COCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)(C)C)n[nH]1 ZINC001130207841 1201542064 /nfs/dbraw/zinc/54/20/64/1201542064.db2.gz RZIFUKBCTBWJND-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@](C)(O)C=C)n1 ZINC001130209523 1201543364 /nfs/dbraw/zinc/54/33/64/1201543364.db2.gz FMAYBAFVGNFSMY-DEYYWGMASA-N 1 1 361.446 0.233 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@](C)(O)C=C)n[nH]1 ZINC001130209523 1201543366 /nfs/dbraw/zinc/54/33/66/1201543366.db2.gz FMAYBAFVGNFSMY-DEYYWGMASA-N 1 1 361.446 0.233 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)ccn2)[nH]1 ZINC001130212982 1201544881 /nfs/dbraw/zinc/54/48/81/1201544881.db2.gz NNVDPTMUCQALRE-HOCLYGCPSA-N 1 1 368.441 0.787 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(CC)ccn2)n[nH]1 ZINC001130212982 1201544884 /nfs/dbraw/zinc/54/48/84/1201544884.db2.gz NNVDPTMUCQALRE-HOCLYGCPSA-N 1 1 368.441 0.787 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2C)[nH]1 ZINC001130213290 1201545851 /nfs/dbraw/zinc/54/58/51/1201545851.db2.gz YIYGYYXWZOEDNV-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C(F)F)CC2)n1 ZINC001130213287 1201545915 /nfs/dbraw/zinc/54/59/15/1201545915.db2.gz YEWKHUQTRFCJHY-RYUDHWBXSA-N 1 1 367.400 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C(F)F)CC2)n[nH]1 ZINC001130213287 1201545917 /nfs/dbraw/zinc/54/59/17/1201545917.db2.gz YEWKHUQTRFCJHY-RYUDHWBXSA-N 1 1 367.400 0.952 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2OCC[C@H]2CC)n1 ZINC001130216357 1201547099 /nfs/dbraw/zinc/54/70/99/1201547099.db2.gz UQGSRVDCOLBKGF-HOSILWTGSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2OCC[C@H]2CC)n[nH]1 ZINC001130216357 1201547100 /nfs/dbraw/zinc/54/71/00/1201547100.db2.gz UQGSRVDCOLBKGF-HOSILWTGSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001130200296 1201547482 /nfs/dbraw/zinc/54/74/82/1201547482.db2.gz GWGZNLWJGKFIAU-AVGNSLFASA-N 1 1 363.418 0.022 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2COC(=O)C2)n[nH]1 ZINC001130200296 1201547488 /nfs/dbraw/zinc/54/74/88/1201547488.db2.gz GWGZNLWJGKFIAU-AVGNSLFASA-N 1 1 363.418 0.022 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cc(C)cn2)n1 ZINC001130200237 1201547522 /nfs/dbraw/zinc/54/75/22/1201547522.db2.gz DUBRXKJQDKJFKE-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2cc(C)cn2)n[nH]1 ZINC001130200237 1201547526 /nfs/dbraw/zinc/54/75/26/1201547526.db2.gz DUBRXKJQDKJFKE-GJZGRUSLSA-N 1 1 371.445 0.111 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC(C)C)[nH]1 ZINC001130200346 1201547998 /nfs/dbraw/zinc/54/79/98/1201547998.db2.gz IVCACRVSVVUEHN-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC2(F)F)n1 ZINC001130220622 1201548358 /nfs/dbraw/zinc/54/83/58/1201548358.db2.gz GHABKHLXGZYTOL-AVGNSLFASA-N 1 1 367.400 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCC2(F)F)n[nH]1 ZINC001130220622 1201548365 /nfs/dbraw/zinc/54/83/65/1201548365.db2.gz GHABKHLXGZYTOL-AVGNSLFASA-N 1 1 367.400 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2CC)[nH]1 ZINC001130220849 1201551345 /nfs/dbraw/zinc/55/13/45/1201551345.db2.gz OJUBVJUPVQDTQF-GJZGRUSLSA-N 1 1 368.441 0.787 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2CC)n[nH]1 ZINC001130220849 1201551348 /nfs/dbraw/zinc/55/13/48/1201551348.db2.gz OJUBVJUPVQDTQF-GJZGRUSLSA-N 1 1 368.441 0.787 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cncc2C)[nH]1 ZINC001130223139 1201552386 /nfs/dbraw/zinc/55/23/86/1201552386.db2.gz NYFKGJHTPSYWCT-GJZGRUSLSA-N 1 1 368.441 0.842 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](F)CC)n1 ZINC001130227555 1201554929 /nfs/dbraw/zinc/55/49/29/1201554929.db2.gz DKOQEEMEVDSJNO-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](F)CC)n[nH]1 ZINC001130227555 1201554932 /nfs/dbraw/zinc/55/49/32/1201554932.db2.gz DKOQEEMEVDSJNO-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2C)[nH]1 ZINC001130232957 1201557923 /nfs/dbraw/zinc/55/79/23/1201557923.db2.gz VZOUJXYRJOVORL-JSGCOSHPSA-N 1 1 358.402 0.517 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2nccc2C)n1 ZINC001130242043 1201561565 /nfs/dbraw/zinc/56/15/65/1201561565.db2.gz BPZQHCNNVGVZJS-KBPBESRZSA-N 1 1 359.434 0.274 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2nccc2C)n[nH]1 ZINC001130242043 1201561567 /nfs/dbraw/zinc/56/15/67/1201561567.db2.gz BPZQHCNNVGVZJS-KBPBESRZSA-N 1 1 359.434 0.274 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C=C)n1 ZINC001130238193 1201562116 /nfs/dbraw/zinc/56/21/16/1201562116.db2.gz YHQHXBYNWRAZBQ-XGUBFFRZSA-N 1 1 361.446 0.660 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C=C)n[nH]1 ZINC001130238193 1201562120 /nfs/dbraw/zinc/56/21/20/1201562120.db2.gz YHQHXBYNWRAZBQ-XGUBFFRZSA-N 1 1 361.446 0.660 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001130244213 1201563679 /nfs/dbraw/zinc/56/36/79/1201563679.db2.gz DKSQVWSBSMCVPO-DEYYWGMASA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)CCOC2)n[nH]1 ZINC001130244213 1201563683 /nfs/dbraw/zinc/56/36/83/1201563683.db2.gz DKSQVWSBSMCVPO-DEYYWGMASA-N 1 1 363.462 0.886 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2cccc2)[nH]1 ZINC001130244484 1201564088 /nfs/dbraw/zinc/56/40/88/1201564088.db2.gz JERSCJWMUBXRDV-GJZGRUSLSA-N 1 1 356.430 0.408 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn(CC)cn2)n1 ZINC001130246738 1201566159 /nfs/dbraw/zinc/56/61/59/1201566159.db2.gz OHORBJWTPRWPLS-JSGCOSHPSA-N 1 1 359.434 0.599 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn(CC)cn2)n[nH]1 ZINC001130246738 1201566163 /nfs/dbraw/zinc/56/61/63/1201566163.db2.gz OHORBJWTPRWPLS-JSGCOSHPSA-N 1 1 359.434 0.599 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2OC)[nH]1 ZINC001130246000 1201566542 /nfs/dbraw/zinc/56/65/42/1201566542.db2.gz AZBFGZCRGOUNNT-BBRMVZONSA-N 1 1 369.425 0.839 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccccc2OC)n[nH]1 ZINC001130246000 1201566548 /nfs/dbraw/zinc/56/65/48/1201566548.db2.gz AZBFGZCRGOUNNT-BBRMVZONSA-N 1 1 369.425 0.839 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2C2CC2)[nH]1 ZINC001130246021 1201566612 /nfs/dbraw/zinc/56/66/12/1201566612.db2.gz BFNRFTKLJGKNMQ-STQMWFEESA-N 1 1 370.413 0.695 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(=O)[nH]c2)n1 ZINC001130249072 1201568191 /nfs/dbraw/zinc/56/81/91/1201568191.db2.gz IKTDOYBDIJCBAJ-STQMWFEESA-N 1 1 358.402 0.483 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(=O)[nH]c2)n[nH]1 ZINC001130249072 1201568195 /nfs/dbraw/zinc/56/81/95/1201568195.db2.gz IKTDOYBDIJCBAJ-STQMWFEESA-N 1 1 358.402 0.483 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2cnn(C)c2)[nH]1 ZINC001130258165 1201571878 /nfs/dbraw/zinc/57/18/78/1201571878.db2.gz NWRVPEXODVEONT-QEJZJMRPSA-N 1 1 371.445 0.053 20 30 FCEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130298926 1201580173 /nfs/dbraw/zinc/58/01/73/1201580173.db2.gz MZVMUBCHIWNRGH-OHNRDTAOSA-N 1 1 364.490 0.549 20 30 FCEDMO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001130301697 1201580589 /nfs/dbraw/zinc/58/05/89/1201580589.db2.gz BDDZROPYYAWMED-BJZITVGISA-N 1 1 371.485 0.697 20 30 FCEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001130307566 1201582587 /nfs/dbraw/zinc/58/25/87/1201582587.db2.gz UOPIVMQTKAFUIK-XLIONFOSSA-N 1 1 362.518 0.827 20 30 FCEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001130307566 1201582589 /nfs/dbraw/zinc/58/25/89/1201582589.db2.gz UOPIVMQTKAFUIK-XLIONFOSSA-N 1 1 362.518 0.827 20 30 FCEDMO CC[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001130423142 1201589847 /nfs/dbraw/zinc/58/98/47/1201589847.db2.gz JSEPLQBVQCJYLF-UMVBOHGHSA-N 1 1 358.446 0.501 20 30 FCEDMO CC[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001130423142 1201589853 /nfs/dbraw/zinc/58/98/53/1201589853.db2.gz JSEPLQBVQCJYLF-UMVBOHGHSA-N 1 1 358.446 0.501 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)COCCOc2ccccc2)[C@@H](O)C1 ZINC001219930521 1224686871 /nfs/dbraw/zinc/68/68/71/1224686871.db2.gz IIPZZXZTRQVFTC-MSOLQXFVSA-N 1 1 364.442 0.446 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@@H](O)C1 ZINC001219953127 1224697834 /nfs/dbraw/zinc/69/78/34/1224697834.db2.gz CVHGADDFDDLALG-OIISXLGYSA-N 1 1 364.490 0.891 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001219953127 1224697837 /nfs/dbraw/zinc/69/78/37/1224697837.db2.gz CVHGADDFDDLALG-OIISXLGYSA-N 1 1 364.490 0.891 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001219953127 1224697841 /nfs/dbraw/zinc/69/78/41/1224697841.db2.gz CVHGADDFDDLALG-OIISXLGYSA-N 1 1 364.490 0.891 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001130567757 1202718982 /nfs/dbraw/zinc/71/89/82/1202718982.db2.gz AGTHXSHYLYUCFB-GOEBONIOSA-N 1 1 370.461 0.221 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130644446 1202745636 /nfs/dbraw/zinc/74/56/36/1202745636.db2.gz SDDDRLMUCZVISH-DOTOQJQBSA-N 1 1 369.473 0.826 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccn3)n[nH]2)O1 ZINC001130762358 1202779351 /nfs/dbraw/zinc/77/93/51/1202779351.db2.gz RLGROWHMILOGQL-MELADBBJSA-N 1 1 357.418 0.322 20 30 FCEDMO N#Cc1c[nH]c(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)c1 ZINC001130770012 1202786608 /nfs/dbraw/zinc/78/66/08/1202786608.db2.gz UGNJUFAOUJQFTE-WCQYABFASA-N 1 1 361.381 0.714 20 30 FCEDMO CC=C(C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130772347 1202787312 /nfs/dbraw/zinc/78/73/12/1202787312.db2.gz IMSSIVBVAOOFLM-FHWRGQPKSA-N 1 1 361.446 0.847 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(=O)[nH]3)n[nH]2)O1 ZINC001130772512 1202787654 /nfs/dbraw/zinc/78/76/54/1202787654.db2.gz PUJYXFRWPVWLAL-GXTWGEPZSA-N 1 1 370.413 0.668 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@@H]3CCC[N@H+]3C)[n-]2)O1 ZINC001130772674 1202787932 /nfs/dbraw/zinc/78/79/32/1202787932.db2.gz XGYFTLWFMZFFPJ-SOUVJXGZSA-N 1 1 360.462 0.348 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccon3)n[nH]2)O1 ZINC001130776645 1202789992 /nfs/dbraw/zinc/78/99/92/1202789992.db2.gz JXQSXMHJQRIYCS-UONOGXRCSA-N 1 1 358.402 0.485 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=CCOCC3)n[nH]2)O1 ZINC001130778081 1202791737 /nfs/dbraw/zinc/79/17/37/1202791737.db2.gz FAVZSKQKNYMGDZ-LSDHHAIUSA-N 1 1 359.430 0.601 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nn3)n[nH]2)O1 ZINC001130778139 1202791870 /nfs/dbraw/zinc/79/18/70/1202791870.db2.gz HMLSNLGRJBWMRJ-WCQYABFASA-N 1 1 360.422 0.249 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nn(C)cc3C)n[nH]2)O1 ZINC001130781022 1202792826 /nfs/dbraw/zinc/79/28/26/1202792826.db2.gz LKJYOZFDFLSVDX-UONOGXRCSA-N 1 1 371.445 0.610 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCO[C@H]3CC)n[nH]2)O1 ZINC001130794489 1202795468 /nfs/dbraw/zinc/79/54/68/1202795468.db2.gz VXTBPNHMRNYKTN-LJISPDSOSA-N 1 1 361.446 0.679 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3coc(OC)n3)n[nH]2)O1 ZINC001130794514 1202795677 /nfs/dbraw/zinc/79/56/77/1202795677.db2.gz XARJUFAOCMGFNC-CMPLNLGQSA-N 1 1 362.390 0.727 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3CC)n[nH]2)O1 ZINC001130790160 1202798395 /nfs/dbraw/zinc/79/83/95/1202798395.db2.gz KOCYVMXQZVITDL-SWLSCSKDSA-N 1 1 371.445 0.474 20 30 FCEDMO 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CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)COC)n[nH]2)O1 ZINC001130813624 1202806191 /nfs/dbraw/zinc/80/61/91/1202806191.db2.gz UYWCIJINRNBVGS-QLFBSQMISA-N 1 1 363.462 0.927 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]c3)n[nH]2)O1 ZINC001130817281 1202807699 /nfs/dbraw/zinc/80/76/99/1202807699.db2.gz KCCYLEMXVPWRSQ-UONOGXRCSA-N 1 1 370.413 0.668 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cncn3)n[nH]2)O1 ZINC001130819718 1202809189 /nfs/dbraw/zinc/80/91/89/1202809189.db2.gz FTUFEPHYZWBWNB-QWHCGFSZSA-N 1 1 360.422 0.098 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccnc3)n[nH]2)O1 ZINC001130820390 1202809197 /nfs/dbraw/zinc/80/91/97/1202809197.db2.gz VSSYDLRAHIHAGN-UONOGXRCSA-N 1 1 357.418 0.151 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccnc3)n[nH]2)O1 ZINC001130819683 1202809276 /nfs/dbraw/zinc/80/92/76/1202809276.db2.gz DKUBCEHDOGITSR-UONOGXRCSA-N 1 1 359.434 0.703 20 30 FCEDMO 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CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472102390 250131448 /nfs/dbraw/zinc/13/14/48/250131448.db2.gz RCYCKCBVCLOJCT-KRWDZBQOSA-N 1 1 367.453 0.909 20 30 FCEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000482146856 250378142 /nfs/dbraw/zinc/37/81/42/250378142.db2.gz BSNCKBGCJQNADI-QWHCGFSZSA-N 1 1 350.444 0.388 20 30 FCEDMO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000482146856 250378145 /nfs/dbraw/zinc/37/81/45/250378145.db2.gz BSNCKBGCJQNADI-QWHCGFSZSA-N 1 1 350.444 0.388 20 30 FCEDMO COC(=O)Cn1cc(CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)nn1 ZINC000269553649 211006367 /nfs/dbraw/zinc/00/63/67/211006367.db2.gz GHXCYZAVCXCCJK-UHFFFAOYSA-N 1 1 355.402 0.082 20 30 FCEDMO N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000499658082 250747785 /nfs/dbraw/zinc/74/77/85/250747785.db2.gz VPCDNRDTJMXLHC-HZPDHXFCSA-N 1 1 356.492 0.842 20 30 FCEDMO COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC[N@H+](C)C1 ZINC000411751021 532986844 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360.458 0.975 20 30 FCEDMO COCC[N@H+]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C[C@H]1C ZINC000117293698 208343115 /nfs/dbraw/zinc/34/31/15/208343115.db2.gz SWQLVVKFMNQZOV-CYBMUJFWSA-N 1 1 360.458 0.975 20 30 FCEDMO N#Cc1ccc(C(=O)NCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000128875878 208506950 /nfs/dbraw/zinc/50/69/50/208506950.db2.gz JKHWIVVGYHTWRN-KRWDZBQOSA-N 1 1 358.442 0.641 20 30 FCEDMO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000266525191 210350787 /nfs/dbraw/zinc/35/07/87/210350787.db2.gz BENAPQGJEQBSHF-AWEZNQCLSA-N 1 1 360.414 0.732 20 30 FCEDMO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000266419105 210335031 /nfs/dbraw/zinc/33/50/31/210335031.db2.gz IIBFFEBXBQJCGM-GOSISDBHSA-N 1 1 370.413 0.842 20 30 FCEDMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1C#N ZINC000266179631 210299027 /nfs/dbraw/zinc/29/90/27/210299027.db2.gz UZWCUZAQELOXAG-HZPDHXFCSA-N 1 1 365.455 0.154 20 30 FCEDMO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)ccc1F 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PUBVUQZKXPWOKP-AWEZNQCLSA-N 1 1 358.398 0.254 20 30 FCEDMO COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+](C)C1 ZINC000411759536 533476421 /nfs/dbraw/zinc/47/64/21/533476421.db2.gz PUBVUQZKXPWOKP-AWEZNQCLSA-N 1 1 358.398 0.254 20 30 FCEDMO N#CC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000109143022 229165694 /nfs/dbraw/zinc/16/56/94/229165694.db2.gz ZJHHIUHGQRVLQH-UHFFFAOYSA-N 1 1 370.453 0.767 20 30 FCEDMO Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000108774048 229165986 /nfs/dbraw/zinc/16/59/86/229165986.db2.gz VFXBGRNJFCDQGI-UHFFFAOYSA-N 1 1 364.471 0.963 20 30 FCEDMO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000178868307 229224248 /nfs/dbraw/zinc/22/42/48/229224248.db2.gz FTAOBZONRDJPBI-KRWDZBQOSA-N 1 1 353.426 0.466 20 30 FCEDMO Cc1nnc(CNC(NC[C@H]2CN3CCN2CC3)=[NH+]C2CCCCC2)n1C ZINC000261960442 229294880 /nfs/dbraw/zinc/29/48/80/229294880.db2.gz KAOCWTZXRPASNP-KRWDZBQOSA-N 1 1 374.537 0.491 20 30 FCEDMO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000407951839 230007474 /nfs/dbraw/zinc/00/74/74/230007474.db2.gz IOKUXBXTPCDMNK-OAGGEKHMSA-N 1 1 357.524 0.280 20 30 FCEDMO C[NH+](C)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(F)c1 ZINC000409550191 230028413 /nfs/dbraw/zinc/02/84/13/230028413.db2.gz DRBBZJHJTVRJMT-LSDHHAIUSA-N 1 1 356.423 0.487 20 30 FCEDMO N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000409578434 230031797 /nfs/dbraw/zinc/03/17/97/230031797.db2.gz BECHIEKMYWOWPI-DLBZAZTESA-N 1 1 364.471 0.710 20 30 FCEDMO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000410128541 230060725 /nfs/dbraw/zinc/06/07/25/230060725.db2.gz UBJHMZHPFTYBRB-WBVHZDCISA-N 1 1 366.487 0.549 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000363633932 488866006 /nfs/dbraw/zinc/86/60/06/488866006.db2.gz SMGYGKWVCJWLJT-HNNXBMFYSA-N 1 1 352.479 0.821 20 30 FCEDMO CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cc[nH]n1 ZINC000278312720 488867236 /nfs/dbraw/zinc/86/72/36/488867236.db2.gz KBDMCSZNILXQQZ-MMOSJZJFSA-N 1 1 365.434 0.636 20 30 FCEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000363640374 488867308 /nfs/dbraw/zinc/86/73/08/488867308.db2.gz XZMMNRDPUUKUJK-QGZVFWFLSA-N 1 1 365.522 0.871 20 30 FCEDMO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000363640374 488867310 /nfs/dbraw/zinc/86/73/10/488867310.db2.gz XZMMNRDPUUKUJK-QGZVFWFLSA-N 1 1 365.522 0.871 20 30 FCEDMO Cc1cc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)nn1CCC#N ZINC000512570147 484327743 /nfs/dbraw/zinc/32/77/43/484327743.db2.gz SEZSJGPJIKSBDA-INIZCTEOSA-N 1 1 350.423 0.310 20 30 FCEDMO C[NH+](C)CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000287507963 488876432 /nfs/dbraw/zinc/87/64/32/488876432.db2.gz OBDXBMNQFUULQK-CQSZACIVSA-N 1 1 353.419 0.888 20 30 FCEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328725328 488933137 /nfs/dbraw/zinc/93/31/37/488933137.db2.gz ZAKIUJQMSXFOQB-XHSDSOJGSA-N 1 1 354.495 0.304 20 30 FCEDMO C=CCN(CCc1ccco1)C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000288027308 488934220 /nfs/dbraw/zinc/93/42/20/488934220.db2.gz CVYLVEWBNAAZFV-UHFFFAOYSA-N 1 1 351.447 0.921 20 30 FCEDMO C[C@H](Cn1cncn1)NC([O-])=[NH+]C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000328760262 488935531 /nfs/dbraw/zinc/93/55/31/488935531.db2.gz XJZFVIQECDAOMO-HIFRSBDPSA-N 1 1 354.480 0.378 20 30 FCEDMO C[N@@H+](CC(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H]1CCSC1 ZINC000328850757 488943564 /nfs/dbraw/zinc/94/35/64/488943564.db2.gz ZIXTWWQUBCYILM-GFCCVEGCSA-N 1 1 367.562 0.759 20 30 FCEDMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)C[NH+]1CCOCC1 ZINC000328835543 488942140 /nfs/dbraw/zinc/94/21/40/488942140.db2.gz MKDVLSBYZHVHCY-CPUCHLNUSA-N 1 1 363.462 0.864 20 30 FCEDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1 ZINC000328893846 488947625 /nfs/dbraw/zinc/94/76/25/488947625.db2.gz AMXVOHCZUCLSJN-ZDUSSCGKSA-N 1 1 369.491 0.519 20 30 FCEDMO Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)c(=O)n2C ZINC000328913931 488949952 /nfs/dbraw/zinc/94/99/52/488949952.db2.gz INDGBCLKRPCMNZ-VXGBXAGGSA-N 1 1 360.418 0.017 20 30 FCEDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000025952943 487675203 /nfs/dbraw/zinc/67/52/03/487675203.db2.gz LJLIZFGLVKFOEP-UHFFFAOYSA-N 1 1 372.385 0.774 20 30 FCEDMO N#Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000048600774 488075444 /nfs/dbraw/zinc/07/54/44/488075444.db2.gz QKYLLSMKMCFCSV-UHFFFAOYSA-N 1 1 350.806 0.989 20 30 FCEDMO C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)CN1CC[NH+](C)CC1 ZINC000329061498 488964941 /nfs/dbraw/zinc/96/49/41/488964941.db2.gz NQGRHHJHQFJGNG-XMTFNYHQSA-N 1 1 368.522 0.646 20 30 FCEDMO CN(C)c1[nH+]cc(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)n1C ZINC000329096901 488968275 /nfs/dbraw/zinc/96/82/75/488968275.db2.gz YISYZAGLWBLEFJ-RRFJBIMHSA-N 1 1 351.451 0.762 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC#C)c2)CC1 ZINC000064442194 488312931 /nfs/dbraw/zinc/31/29/31/488312931.db2.gz XCTZKJRWZUEWAF-UHFFFAOYSA-N 1 1 359.451 0.379 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000068445277 488365623 /nfs/dbraw/zinc/36/56/23/488365623.db2.gz VXXDPNMCDAVOJH-GOSISDBHSA-N 1 1 367.453 0.915 20 30 FCEDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000069434928 488372464 /nfs/dbraw/zinc/37/24/64/488372464.db2.gz CRIDUQROSZTUPG-UHFFFAOYSA-N 1 1 373.457 0.941 20 30 FCEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288066 488389718 /nfs/dbraw/zinc/38/97/18/488389718.db2.gz POHPNWUNVMNHBK-ZDUSSCGKSA-N 1 1 350.444 0.887 20 30 FCEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288936 488390142 /nfs/dbraw/zinc/39/01/42/488390142.db2.gz JJGBYFBSGRPQDV-KBPBESRZSA-N 1 1 356.492 0.718 20 30 FCEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288936 488390144 /nfs/dbraw/zinc/39/01/44/488390144.db2.gz JJGBYFBSGRPQDV-KBPBESRZSA-N 1 1 356.492 0.718 20 30 FCEDMO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 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488756681 /nfs/dbraw/zinc/75/66/81/488756681.db2.gz MHENRQIJZDSECR-UHFFFAOYSA-N 1 1 367.450 0.428 20 30 FCEDMO C=CC[N@H+](C)CC(=O)N(CCOC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000275052938 488756684 /nfs/dbraw/zinc/75/66/84/488756684.db2.gz MHENRQIJZDSECR-UHFFFAOYSA-N 1 1 367.450 0.428 20 30 FCEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000155940935 488760977 /nfs/dbraw/zinc/76/09/77/488760977.db2.gz JIADAIYJEVXPKT-HOTGVXAUSA-N 1 1 354.472 0.778 20 30 FCEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000155940935 488760978 /nfs/dbraw/zinc/76/09/78/488760978.db2.gz JIADAIYJEVXPKT-HOTGVXAUSA-N 1 1 354.472 0.778 20 30 FCEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000156293282 488764068 /nfs/dbraw/zinc/76/40/68/488764068.db2.gz IVZPTUNKOLSGGE-OAHLLOKOSA-N 1 1 352.460 0.832 20 30 FCEDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000157767264 488773700 /nfs/dbraw/zinc/77/37/00/488773700.db2.gz YDEVZRFPZMDRIP-HIFRSBDPSA-N 1 1 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ZINC000176227163 488857759 /nfs/dbraw/zinc/85/77/59/488857759.db2.gz ANNLWIIUQOPHBB-INIZCTEOSA-N 1 1 372.473 0.888 20 30 FCEDMO CN(C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1)S(C)(=O)=O ZINC000329225039 488982355 /nfs/dbraw/zinc/98/23/55/488982355.db2.gz FWQUZZUMXMJUHK-UONOGXRCSA-N 1 1 369.491 0.715 20 30 FCEDMO O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329221722 488982440 /nfs/dbraw/zinc/98/24/40/488982440.db2.gz VFGFIZZFIZZVKS-VYDXJSESSA-N 1 1 371.503 0.807 20 30 FCEDMO Cn1ccnc(N2CCC[C@H]([NH+]=C([O-])N[C@@H]3CCn4ccnc4C3)C2)c1=O ZINC000329238728 488983917 /nfs/dbraw/zinc/98/39/17/488983917.db2.gz PWBZKHOKXKQDFY-KGLIPLIRSA-N 1 1 371.445 0.464 20 30 FCEDMO CN(C)c1ncc(CN(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000329262454 488986687 /nfs/dbraw/zinc/98/66/87/488986687.db2.gz BFSRHHGSAZKNGQ-UHFFFAOYSA-N 1 1 363.466 0.053 20 30 FCEDMO Cn1cc(N2CCC[C@@H](NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)C2=O)cn1 ZINC000329287011 488989394 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WALQRJWDYBDQRI-AGIUHOORSA-N 1 1 365.430 0.286 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)o2)C1 ZINC001019407561 675424837 /nfs/dbraw/zinc/42/48/37/675424837.db2.gz JORYIYCAJPDWEV-CFVMTHIKSA-N 1 1 368.455 0.965 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001020167927 675436151 /nfs/dbraw/zinc/43/61/51/675436151.db2.gz MCXHARNMFVSUGT-SYQHCUMBSA-N 1 1 350.419 0.934 20 30 FCEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O ZINC001040945792 675480096 /nfs/dbraw/zinc/48/00/96/675480096.db2.gz WJLARKKCDCZIHD-GMTAPVOTSA-N 1 1 355.851 0.428 20 30 FCEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]2O)C1 ZINC001041103324 675495429 /nfs/dbraw/zinc/49/54/29/675495429.db2.gz HNFHVKUBISFNQJ-HBNTYKKESA-N 1 1 369.878 0.676 20 30 FCEDMO C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O ZINC001041344515 675515823 /nfs/dbraw/zinc/51/58/23/675515823.db2.gz WDYKBOHSSQGGTJ-MVWJERBFSA-N 1 1 369.878 0.818 20 30 FCEDMO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001041808668 675528699 /nfs/dbraw/zinc/52/86/99/675528699.db2.gz MVOXROBVQXQCFV-GMTAPVOTSA-N 1 1 369.878 0.940 20 30 FCEDMO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001041808668 675528700 /nfs/dbraw/zinc/52/87/00/675528700.db2.gz MVOXROBVQXQCFV-GMTAPVOTSA-N 1 1 369.878 0.940 20 30 FCEDMO CO[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835395 675549162 /nfs/dbraw/zinc/54/91/62/675549162.db2.gz FTZDVIQSMDXPFP-MVWJERBFSA-N 1 1 369.878 0.940 20 30 FCEDMO Cc1nsc(N2C[C@H]3OCCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@H]3C2)c1C#N ZINC001043677148 675586036 /nfs/dbraw/zinc/58/60/36/675586036.db2.gz FATIRIZCJAFPQB-SOUVJXGZSA-N 1 1 361.471 0.833 20 30 FCEDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@@H]2O)C1 ZINC001043966228 675608981 /nfs/dbraw/zinc/60/89/81/675608981.db2.gz NEXIZKAOLZXGKU-AEJSXWLSSA-N 1 1 355.851 0.286 20 30 FCEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@@H]2O)C1 ZINC001044063234 675614355 /nfs/dbraw/zinc/61/43/55/675614355.db2.gz ZEYWLQTVAXEJEH-WCQGTBRESA-N 1 1 369.878 0.676 20 30 FCEDMO C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 ZINC001046036974 675681672 /nfs/dbraw/zinc/68/16/72/675681672.db2.gz RDHRVLPRLASSCL-BZSNNMDCSA-N 1 1 351.491 0.975 20 30 FCEDMO C#CCSCC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000900606300 675699110 /nfs/dbraw/zinc/69/91/10/675699110.db2.gz RPTZDJVUEBXQND-UHFFFAOYSA-N 1 1 366.531 0.050 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001046632180 675732460 /nfs/dbraw/zinc/73/24/60/675732460.db2.gz UPMYRLSGQVVRGV-VYDXJSESSA-N 1 1 371.503 0.194 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC001046632180 675732462 /nfs/dbraw/zinc/73/24/62/675732462.db2.gz UPMYRLSGQVVRGV-VYDXJSESSA-N 1 1 371.503 0.194 20 30 FCEDMO COCCOc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)o1 ZINC000901138625 675762967 /nfs/dbraw/zinc/76/29/67/675762967.db2.gz JREQGDXJEAQOPD-UHFFFAOYSA-N 1 1 370.475 0.825 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC000969169098 1167776083 /nfs/dbraw/zinc/77/60/83/1167776083.db2.gz QYSYSFSFZOVYDY-GHHWKCCRSA-N 1 1 357.454 0.322 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1COC2 ZINC000969169098 1167776095 /nfs/dbraw/zinc/77/60/95/1167776095.db2.gz QYSYSFSFZOVYDY-GHHWKCCRSA-N 1 1 357.454 0.322 20 30 FCEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]32)c1 ZINC001083188296 1167904959 /nfs/dbraw/zinc/90/49/59/1167904959.db2.gz OBHIOAIJLKYDBD-ZWKOTPCHSA-N 1 1 368.437 0.211 20 30 FCEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]32)c1 ZINC001083188296 1167904961 /nfs/dbraw/zinc/90/49/61/1167904961.db2.gz OBHIOAIJLKYDBD-ZWKOTPCHSA-N 1 1 368.437 0.211 20 30 FCEDMO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001125299254 1167966505 /nfs/dbraw/zinc/96/65/05/1167966505.db2.gz KNCRZHHBUCRAPC-DJIMGWMZSA-N 1 1 359.474 0.857 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C)c1 ZINC001020561405 1168024944 /nfs/dbraw/zinc/02/49/44/1168024944.db2.gz XIELDQIKFQPTAZ-IDCJVQTKSA-N 1 1 370.453 0.501 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C)c1 ZINC001020561405 1168024949 /nfs/dbraw/zinc/02/49/49/1168024949.db2.gz XIELDQIKFQPTAZ-IDCJVQTKSA-N 1 1 370.453 0.501 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H](O)C2)nc1 ZINC000969962324 1168239510 /nfs/dbraw/zinc/23/95/10/1168239510.db2.gz MVDFDQFEUYDHMS-PLYYQAHHSA-N 1 1 370.453 0.095 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(-c3ccncn3)no2)C1 ZINC000970016774 1168280817 /nfs/dbraw/zinc/28/08/17/1168280817.db2.gz GZMCNUSWYPSYBQ-NFAWXSAZSA-N 1 1 370.413 0.808 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001690965209 1168308590 /nfs/dbraw/zinc/30/85/90/1168308590.db2.gz URUQIDCIMVQLPY-SOUVJXGZSA-N 1 1 350.463 0.873 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001690965209 1168308595 /nfs/dbraw/zinc/30/85/95/1168308595.db2.gz URUQIDCIMVQLPY-SOUVJXGZSA-N 1 1 350.463 0.873 20 30 FCEDMO C#CCCC[N@H+]1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001209265729 1168338756 /nfs/dbraw/zinc/33/87/56/1168338756.db2.gz FUYWFGHCYXUMHD-UHFFFAOYSA-N 1 1 368.441 0.526 20 30 FCEDMO C#CCCC[N@@H+]1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001209265729 1168338762 /nfs/dbraw/zinc/33/87/62/1168338762.db2.gz FUYWFGHCYXUMHD-UHFFFAOYSA-N 1 1 368.441 0.526 20 30 FCEDMO C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1CCOCC1 ZINC001691002283 1168382133 /nfs/dbraw/zinc/38/21/33/1168382133.db2.gz ZIGDVEXMXMUJFO-OAHLLOKOSA-N 1 1 372.477 0.997 20 30 FCEDMO CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001125326936 1168444006 /nfs/dbraw/zinc/44/40/06/1168444006.db2.gz CNHSRMLMCLYXHM-YNEHKIRRSA-N 1 1 355.402 0.131 20 30 FCEDMO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2O)C1 ZINC000970398635 1168837665 /nfs/dbraw/zinc/83/76/65/1168837665.db2.gz HNVVZHFBCAIOMD-ILXRZTDVSA-N 1 1 358.442 0.805 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cn1 ZINC001021236008 1168848943 /nfs/dbraw/zinc/84/89/43/1168848943.db2.gz RUCJCHRMPUPSLP-RYQLBKOJSA-N 1 1 352.438 0.830 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2O)c1 ZINC000970417826 1168851991 /nfs/dbraw/zinc/85/19/91/1168851991.db2.gz QDMJYWLIXKLDSO-KSZLIROESA-N 1 1 370.453 0.239 20 30 FCEDMO COc1ccc(C#N)cc1C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000970432343 1168863561 /nfs/dbraw/zinc/86/35/61/1168863561.db2.gz XWOZODVSVDUDAN-LYRGGWFBSA-N 1 1 356.426 0.625 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccncc3F)[C@@H]2C1 ZINC001021283028 1168906839 /nfs/dbraw/zinc/90/68/39/1168906839.db2.gz SKRGPCMMRGPHII-JCGIZDLHSA-N 1 1 370.428 0.991 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3ccncc3F)[C@@H]2C1 ZINC001021283028 1168906857 /nfs/dbraw/zinc/90/68/57/1168906857.db2.gz SKRGPCMMRGPHII-JCGIZDLHSA-N 1 1 370.428 0.991 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1OC ZINC001212034575 1192340325 /nfs/dbraw/zinc/34/03/25/1192340325.db2.gz XZAWHSGPHPNSSW-FGTMMUONSA-N 1 1 364.442 0.747 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](C[C@H](O)c2cccc(OC)c2)C[C@H]1OC ZINC001212034575 1192340330 /nfs/dbraw/zinc/34/03/30/1192340330.db2.gz XZAWHSGPHPNSSW-FGTMMUONSA-N 1 1 364.442 0.747 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C1 ZINC001021309097 1169010866 /nfs/dbraw/zinc/01/08/66/1169010866.db2.gz BWCKZIVADXGZGM-BHYGNILZSA-N 1 1 368.437 0.558 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)[C@@H]2C1 ZINC001021309097 1169010879 /nfs/dbraw/zinc/01/08/79/1169010879.db2.gz BWCKZIVADXGZGM-BHYGNILZSA-N 1 1 368.437 0.558 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)[C@H]2C)C1=O ZINC001088607316 1192348544 /nfs/dbraw/zinc/34/85/44/1192348544.db2.gz QAPFAGSTADAHAK-KMFMINBZSA-N 1 1 357.458 0.809 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc4n(n3)CCC4)[C@H]2C)C1=O ZINC001088607316 1192348551 /nfs/dbraw/zinc/34/85/51/1192348551.db2.gz QAPFAGSTADAHAK-KMFMINBZSA-N 1 1 357.458 0.809 20 30 FCEDMO CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001021429674 1169316356 /nfs/dbraw/zinc/31/63/56/1169316356.db2.gz OQXKDAOHZMLYRU-XKQJLSEDSA-N 1 1 371.441 0.280 20 30 FCEDMO CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001021429674 1169316362 /nfs/dbraw/zinc/31/63/62/1169316362.db2.gz OQXKDAOHZMLYRU-XKQJLSEDSA-N 1 1 371.441 0.280 20 30 FCEDMO C=CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2ccn[nH]2)C1=O ZINC001087140034 1169964886 /nfs/dbraw/zinc/96/48/86/1169964886.db2.gz FTROKBHUOVEIQQ-HYVNUMGLSA-N 1 1 359.474 0.956 20 30 FCEDMO 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C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc3n(n2)CCC3)n[nH]1 ZINC001130216126 1201546788 /nfs/dbraw/zinc/54/67/88/1201546788.db2.gz NFQSCWZXIYODPX-ZFWWWQNUSA-N 1 1 371.445 0.526 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cnc(C)o2)n1 ZINC001130216135 1201546955 /nfs/dbraw/zinc/54/69/55/1201546955.db2.gz NLPOLRNGRJPUNO-KBPBESRZSA-N 1 1 360.418 0.608 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cnc(C)o2)n[nH]1 ZINC001130216135 1201546960 /nfs/dbraw/zinc/54/69/60/1201546960.db2.gz NLPOLRNGRJPUNO-KBPBESRZSA-N 1 1 360.418 0.608 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130215912 1201547125 /nfs/dbraw/zinc/54/71/25/1201547125.db2.gz HTLHTYHWAKCYDN-KBPBESRZSA-N 1 1 365.478 0.868 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130215912 1201547126 /nfs/dbraw/zinc/54/71/26/1201547126.db2.gz HTLHTYHWAKCYDN-KBPBESRZSA-N 1 1 365.478 0.868 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccc2)[nH]1 ZINC001130200134 1201547565 /nfs/dbraw/zinc/54/75/65/1201547565.db2.gz AZJLUVNPOWYOFK-KKUMJFAQSA-N 1 1 356.430 0.579 20 30 FCEDMO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200271 1201547735 /nfs/dbraw/zinc/54/77/35/1201547735.db2.gz GBPYRQVNCVQUMO-JSGCOSHPSA-N 1 1 357.418 0.807 20 30 FCEDMO CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200271 1201547736 /nfs/dbraw/zinc/54/77/36/1201547736.db2.gz GBPYRQVNCVQUMO-JSGCOSHPSA-N 1 1 357.418 0.807 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(F)nc2)n1 ZINC001130202533 1201548530 /nfs/dbraw/zinc/54/85/30/1201548530.db2.gz ATTJZRRNVNQHHW-STQMWFEESA-N 1 1 360.393 0.917 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(F)nc2)n[nH]1 ZINC001130202533 1201548531 /nfs/dbraw/zinc/54/85/31/1201548531.db2.gz ATTJZRRNVNQHHW-STQMWFEESA-N 1 1 360.393 0.917 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n[nH]1 ZINC001130202861 1201549969 /nfs/dbraw/zinc/54/99/69/1201549969.db2.gz MMZJKKCSVLFPQU-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)OC)n1 ZINC001130202861 1201549974 /nfs/dbraw/zinc/54/99/74/1201549974.db2.gz MMZJKKCSVLFPQU-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23CCC[C@H]2OCC3)[nH]1 ZINC001130222718 1201551728 /nfs/dbraw/zinc/55/17/28/1201551728.db2.gz BMOXBHQRMZDLNX-ZTENYAIWSA-N 1 1 373.457 0.475 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(CC)c2)[nH]1 ZINC001130223445 1201552562 /nfs/dbraw/zinc/55/25/62/1201552562.db2.gz UTADPSZVXDXFSK-HOTGVXAUSA-N 1 1 368.441 0.787 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001130240109 1201555468 /nfs/dbraw/zinc/55/54/68/1201555468.db2.gz IWYMBKTVLKCHPV-LEOABGAYSA-N 1 1 373.457 0.474 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n[nH]1 ZINC001130240109 1201555470 /nfs/dbraw/zinc/55/54/70/1201555470.db2.gz IWYMBKTVLKCHPV-LEOABGAYSA-N 1 1 373.457 0.474 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2CC)[nH]1 ZINC001130232906 1201557699 /nfs/dbraw/zinc/55/76/99/1201557699.db2.gz SQXBVVQUICIXGC-FZMZJTMJSA-N 1 1 358.402 0.380 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2cncnc2)[nH]1 ZINC001130234658 1201558157 /nfs/dbraw/zinc/55/81/57/1201558157.db2.gz GREMQUPQBKZLOQ-SNPRPXQTSA-N 1 1 369.429 0.110 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCOC)n[nH]2)C1 ZINC001130234754 1201558915 /nfs/dbraw/zinc/55/89/15/1201558915.db2.gz JUBHVXAWNZFMGZ-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCOC)n2)C1 ZINC001130234754 1201558918 /nfs/dbraw/zinc/55/89/18/1201558918.db2.gz JUBHVXAWNZFMGZ-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C[C@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130234925 1201559024 /nfs/dbraw/zinc/55/90/24/1201559024.db2.gz PNORJTCYTSXAOC-SUNYJGFJSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C[C@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130234925 1201559027 /nfs/dbraw/zinc/55/90/27/1201559027.db2.gz PNORJTCYTSXAOC-SUNYJGFJSA-N 1 1 365.478 0.868 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C=C)[nH]1 ZINC001130238015 1201560377 /nfs/dbraw/zinc/56/03/77/1201560377.db2.gz OVMXSRNEQJERLZ-XGUBFFRZSA-N 1 1 359.430 0.107 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2C)[nH]1 ZINC001130238207 1201561749 /nfs/dbraw/zinc/56/17/49/1201561749.db2.gz YTYLHOYTLLRJBS-HOTGVXAUSA-N 1 1 368.441 0.462 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)(F)F)CC2)[nH]1 ZINC001130238100 1201562137 /nfs/dbraw/zinc/56/21/37/1201562137.db2.gz TVPSJMXJUYTZGT-RYUDHWBXSA-N 1 1 367.400 0.952 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C3CC3)no2)[nH]1 ZINC001130242100 1201562656 /nfs/dbraw/zinc/56/26/56/1201562656.db2.gz FKVOMSBGUKOJDH-WFASDCNBSA-N 1 1 370.413 0.695 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CCCOC2)[nH]1 ZINC001130244926 1201565550 /nfs/dbraw/zinc/56/55/50/1201565550.db2.gz RAKVFVPRDFNTGX-DEYYWGMASA-N 1 1 361.446 0.333 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)COC)[nH]1 ZINC001130246386 1201565824 /nfs/dbraw/zinc/56/58/24/1201565824.db2.gz IZICLFKIPHQEOO-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#C)cn2)[nH]1 ZINC001130246068 1201565981 /nfs/dbraw/zinc/56/59/81/1201565981.db2.gz CRDKKDJWANAUSX-HOCLYGCPSA-N 1 1 364.409 0.206 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#C)cn2)n[nH]1 ZINC001130246068 1201565983 /nfs/dbraw/zinc/56/59/83/1201565983.db2.gz CRDKKDJWANAUSX-HOCLYGCPSA-N 1 1 364.409 0.206 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(OC)cc2)[nH]1 ZINC001130247044 1201567862 /nfs/dbraw/zinc/56/78/62/1201567862.db2.gz RQEPWSBTCPQEHO-HOTGVXAUSA-N 1 1 369.425 0.839 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(OC)cc2)n[nH]1 ZINC001130247044 1201567867 /nfs/dbraw/zinc/56/78/67/1201567867.db2.gz RQEPWSBTCPQEHO-HOTGVXAUSA-N 1 1 369.425 0.839 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C)[nH]1 ZINC001130249202 1201568699 /nfs/dbraw/zinc/56/86/99/1201568699.db2.gz OXFYBKNQUSVOGX-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCn2cccn2)[nH]1 ZINC001130251290 1201569876 /nfs/dbraw/zinc/56/98/76/1201569876.db2.gz LOROGJPIKZPWFJ-GJZGRUSLSA-N 1 1 371.445 0.193 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]cnc2CC)[nH]1 ZINC001130251249 1201570664 /nfs/dbraw/zinc/57/06/64/1201570664.db2.gz KBUNCANWBDQOIC-JSGCOSHPSA-N 1 1 371.445 0.506 20 30 FCEDMO C=CCCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[nH]1 ZINC001130253693 1201571099 /nfs/dbraw/zinc/57/10/99/1201571099.db2.gz KKUSXSAOLQUSEY-GJZGRUSLSA-N 1 1 361.446 0.499 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001220055070 1224739432 /nfs/dbraw/zinc/73/94/32/1224739432.db2.gz HOSBSPVBNSFRMG-MAZHCROVSA-N 1 1 357.418 0.187 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001220055278 1224739789 /nfs/dbraw/zinc/73/97/89/1224739789.db2.gz QPDGGDTZORGDQH-SJORKVTESA-N 1 1 371.445 0.579 20 30 FCEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000806254812 1202719945 /nfs/dbraw/zinc/71/99/45/1202719945.db2.gz ULQSNHAQYZIQRJ-INIZCTEOSA-N 1 1 372.473 0.862 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130713031 1202760357 /nfs/dbraw/zinc/76/03/57/1202760357.db2.gz ZMQQTGGCUHTGTM-QWQRMKEZSA-N 1 1 367.457 0.251 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130713031 1202760360 /nfs/dbraw/zinc/76/03/60/1202760360.db2.gz ZMQQTGGCUHTGTM-QWQRMKEZSA-N 1 1 367.457 0.251 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC3)n[nH]2)O1 ZINC001130745184 1202773231 /nfs/dbraw/zinc/77/32/31/1202773231.db2.gz UKRAKALUTHELIG-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccn3)n[nH]2)O1 ZINC001130749304 1202775503 /nfs/dbraw/zinc/77/55/03/1202775503.db2.gz DFNAVLGCXJIVMC-GXTWGEPZSA-N 1 1 357.418 0.911 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOC)n[nH]2)O1 ZINC001130754626 1202777086 /nfs/dbraw/zinc/77/70/86/1202777086.db2.gz KHKTXNAFIPKPMB-UONOGXRCSA-N 1 1 367.450 0.470 20 30 FCEDMO CC[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130757671 1202780286 /nfs/dbraw/zinc/78/02/86/1202780286.db2.gz FPNSIVGCZSTMHX-QLFBSQMISA-N 1 1 363.462 0.927 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CN(C)C(C)=O)n[nH]2)O1 ZINC001130757638 1202780747 /nfs/dbraw/zinc/78/07/47/1202780747.db2.gz DHIBKOYSAPGOAP-UONOGXRCSA-N 1 1 364.450 0.285 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n(C)n3)n[nH]2)O1 ZINC001130759809 1202781918 /nfs/dbraw/zinc/78/19/18/1202781918.db2.gz NJCLWLORPVATAN-GXTWGEPZSA-N 1 1 359.434 0.772 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(=O)C(C)(C)C)n[nH]2)O1 ZINC001130775528 1202783821 /nfs/dbraw/zinc/78/38/21/1202783821.db2.gz ZWYSQYBTGXVKLO-QWHCGFSZSA-N 1 1 361.446 0.869 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)C#N)n[nH]2)O1 ZINC001130770001 1202786574 /nfs/dbraw/zinc/78/65/74/1202786574.db2.gz TWDWCOWEPVHKCI-MELADBBJSA-N 1 1 360.418 0.040 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)c3)n[nH]2)O1 ZINC001130772260 1202787558 /nfs/dbraw/zinc/78/75/58/1202787558.db2.gz DZCHWUMEYFFQDR-LSDHHAIUSA-N 1 1 356.430 0.906 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCC=C)O2)n1 ZINC001130785208 1202788897 /nfs/dbraw/zinc/78/88/97/1202788897.db2.gz FWGLJJARYHDIRT-QLFBSQMISA-N 1 1 361.446 0.845 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC3CC3)O2)n1 ZINC001130778299 1202791583 /nfs/dbraw/zinc/79/15/83/1202791583.db2.gz PYMGVHSRLOWKLG-IYOUNJFTSA-N 1 1 363.462 0.968 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3)n[nH]2)O1 ZINC001130778234 1202791939 /nfs/dbraw/zinc/79/19/39/1202791939.db2.gz MRDOZZJBGHDOGR-UONOGXRCSA-N 1 1 357.418 0.911 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOC)O2)n1 ZINC001130778281 1202792026 /nfs/dbraw/zinc/79/20/26/1202792026.db2.gz OVNJADYTSQGWQQ-OGHNNQOOSA-N 1 1 367.450 0.204 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nn3)n[nH]2)O1 ZINC001130781252 1202792982 /nfs/dbraw/zinc/79/29/82/1202792982.db2.gz VSGAAICZBSTVDI-DZGCQCFKSA-N 1 1 369.429 0.666 20 30 FCEDMO 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CN1CC[NH+](C2(C(=O)NCc3ccc(C(=O)NO)cc3)CCCC2)CC1 ZINC000671997529 493722800 /nfs/dbraw/zinc/72/28/00/493722800.db2.gz XAVWJAGWGTWCFF-UHFFFAOYSA-N 1 1 360.458 0.982 20 30 FCEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000409561458 533790909 /nfs/dbraw/zinc/79/09/09/533790909.db2.gz LFSQLEVDELRYAI-QLFBSQMISA-N 1 1 358.508 0.802 20 30 FCEDMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329472122 534634696 /nfs/dbraw/zinc/63/46/96/534634696.db2.gz AEGYFCHWJFLXIW-QLFBSQMISA-N 1 1 362.430 0.808 20 30 FCEDMO N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000409578437 534756475 /nfs/dbraw/zinc/75/64/75/534756475.db2.gz BECHIEKMYWOWPI-SJORKVTESA-N 1 1 364.471 0.710 20 30 FCEDMO C[NH+]=C(NCCN(C)C1CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000085788170 526354938 /nfs/dbraw/zinc/35/49/38/526354938.db2.gz VFLPOXBRWGNQID-QGZVFWFLSA-N 1 1 365.522 0.759 20 30 FCEDMO CC#CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000190502209 526367914 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C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001130207575 1201541931 /nfs/dbraw/zinc/54/19/31/1201541931.db2.gz HEDZIHCNHCYUBY-CYDGBPFRSA-N 1 1 367.400 0.808 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2C[C@@H]2C(F)F)n[nH]1 ZINC001130207575 1201541935 /nfs/dbraw/zinc/54/19/35/1201541935.db2.gz HEDZIHCNHCYUBY-CYDGBPFRSA-N 1 1 367.400 0.808 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2nnc(C)o2)n1 ZINC001130209608 1201543464 /nfs/dbraw/zinc/54/34/64/1201543464.db2.gz HJXJUUSBDMQEEF-RYUDHWBXSA-N 1 1 361.406 0.003 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2nnc(C)o2)n[nH]1 ZINC001130209608 1201543470 /nfs/dbraw/zinc/54/34/70/1201543470.db2.gz HJXJUUSBDMQEEF-RYUDHWBXSA-N 1 1 361.406 0.003 20 30 FCEDMO C#CCCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOCC)n[nH]1 ZINC001130209711 1201544104 /nfs/dbraw/zinc/54/41/04/1201544104.db2.gz LKUPOPYQSONDGF-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOCC)n1 ZINC001130209711 1201544105 /nfs/dbraw/zinc/54/41/05/1201544105.db2.gz LKUPOPYQSONDGF-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO CO[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212887 1201545281 /nfs/dbraw/zinc/54/52/81/1201545281.db2.gz JJXBVAXZMWVPBH-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO CO[C@@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212887 1201545283 /nfs/dbraw/zinc/54/52/83/1201545283.db2.gz JJXBVAXZMWVPBH-QEJZJMRPSA-N 1 1 361.446 0.331 20 30 FCEDMO CO[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130212822 1201545515 /nfs/dbraw/zinc/54/55/15/1201545515.db2.gz FRESYMHGVHIFQM-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO CO[C@H](C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130212822 1201545519 /nfs/dbraw/zinc/54/55/19/1201545519.db2.gz FRESYMHGVHIFQM-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2nc(CC)c[nH]2)[nH]1 ZINC001130215942 1201546677 /nfs/dbraw/zinc/54/66/77/1201546677.db2.gz JDHRZRVIGNMGEA-KBPBESRZSA-N 1 1 371.445 0.044 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C=CC=CC=C2)[nH]1 ZINC001130216143 1201547183 /nfs/dbraw/zinc/54/71/83/1201547183.db2.gz NSZYEAHWTSFIOY-HOTGVXAUSA-N 1 1 353.426 0.815 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccc2)[nH]1 ZINC001130200131 1201548057 /nfs/dbraw/zinc/54/80/57/1201548057.db2.gz AZJLUVNPOWYOFK-ILXRZTDVSA-N 1 1 356.430 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#N)[nH]2)[nH]1 ZINC001130200555 1201549146 /nfs/dbraw/zinc/54/91/46/1201549146.db2.gz PYXHOPKSFAAVMC-JSGCOSHPSA-N 1 1 353.386 0.030 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130202751 1201549870 /nfs/dbraw/zinc/54/98/70/1201549870.db2.gz JDFNDMRHRDVNOU-RDBSUJKOSA-N 1 1 362.434 0.245 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130202751 1201549874 /nfs/dbraw/zinc/54/98/74/1201549874.db2.gz JDFNDMRHRDVNOU-RDBSUJKOSA-N 1 1 362.434 0.245 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncnc2)[nH]1 ZINC001130202902 1201550032 /nfs/dbraw/zinc/55/00/32/1201550032.db2.gz NTMKLNHAEFJZQZ-KBPBESRZSA-N 1 1 355.402 0.010 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2C)n1 ZINC001130223169 1201551808 /nfs/dbraw/zinc/55/18/08/1201551808.db2.gz PJHVCDOSHXVFQL-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2C)n[nH]1 ZINC001130223169 1201551812 /nfs/dbraw/zinc/55/18/12/1201551812.db2.gz PJHVCDOSHXVFQL-GJZGRUSLSA-N 1 1 371.445 0.871 20 30 FCEDMO C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130225079 1201554339 /nfs/dbraw/zinc/55/43/39/1201554339.db2.gz RHBRUNGVATZZIU-IHRRRGAJSA-N 1 1 365.478 0.866 20 30 FCEDMO C=C(C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130225079 1201554343 /nfs/dbraw/zinc/55/43/43/1201554343.db2.gz RHBRUNGVATZZIU-IHRRRGAJSA-N 1 1 365.478 0.866 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2C)[nH]1 ZINC001130232437 1201556856 /nfs/dbraw/zinc/55/68/56/1201556856.db2.gz HMDADVMSPSHOGC-HOTGVXAUSA-N 1 1 370.457 0.867 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC001130230350 1201557092 /nfs/dbraw/zinc/55/70/92/1201557092.db2.gz UELKYRUWEMODQY-JHZZJYKESA-N 1 1 361.446 0.352 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n[nH]1 ZINC001130230350 1201557096 /nfs/dbraw/zinc/55/70/96/1201557096.db2.gz UELKYRUWEMODQY-JHZZJYKESA-N 1 1 361.446 0.352 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130232937 1201558120 /nfs/dbraw/zinc/55/81/20/1201558120.db2.gz UYWKJUZPTAZXLO-ILXRZTDVSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130232937 1201558123 /nfs/dbraw/zinc/55/81/23/1201558123.db2.gz UYWKJUZPTAZXLO-ILXRZTDVSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]C[C@H](C)O)n[nH]2)C1 ZINC001130235159 1201559218 /nfs/dbraw/zinc/55/92/18/1201559218.db2.gz VXYYBLXKFVQWIS-IHRRRGAJSA-N 1 1 363.462 0.620 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]C[C@H](C)O)n2)C1 ZINC001130235159 1201559221 /nfs/dbraw/zinc/55/92/21/1201559221.db2.gz VXYYBLXKFVQWIS-IHRRRGAJSA-N 1 1 363.462 0.620 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2C2CC2)[nH]1 ZINC001130234947 1201559552 /nfs/dbraw/zinc/55/95/52/1201559552.db2.gz QMUCIOHMSVJAOV-JSGCOSHPSA-N 1 1 370.413 0.695 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC001130240614 1201561712 /nfs/dbraw/zinc/56/17/12/1201561712.db2.gz WBHIKSWYVHCDEG-SEBNEYGDSA-N 1 1 361.446 0.637 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n[nH]1 ZINC001130240614 1201561716 /nfs/dbraw/zinc/56/17/16/1201561716.db2.gz WBHIKSWYVHCDEG-SEBNEYGDSA-N 1 1 361.446 0.637 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nn2CC)[nH]1 ZINC001130240664 1201561776 /nfs/dbraw/zinc/56/17/76/1201561776.db2.gz YLQUBBPBQPQGFB-ZFWWWQNUSA-N 1 1 371.445 0.355 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nn2CC)n[nH]1 ZINC001130240664 1201561779 /nfs/dbraw/zinc/56/17/79/1201561779.db2.gz YLQUBBPBQPQGFB-ZFWWWQNUSA-N 1 1 371.445 0.355 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)[nH]c2=O)[nH]1 ZINC001130242107 1201562682 /nfs/dbraw/zinc/56/26/82/1201562682.db2.gz FSTQNGROSQVNGX-JSGCOSHPSA-N 1 1 370.413 0.239 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(OC)o2)[nH]1 ZINC001130244338 1201563810 /nfs/dbraw/zinc/56/38/10/1201563810.db2.gz HMUCLBIDVNIOSQ-AAEUAGOBSA-N 1 1 359.386 0.432 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCn2ccnc2)[nH]1 ZINC001130253696 1201571019 /nfs/dbraw/zinc/57/10/19/1201571019.db2.gz KRAFWZCVPCSDOR-GJZGRUSLSA-N 1 1 371.445 0.193 20 30 FCEDMO COCC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001130422847 1201590174 /nfs/dbraw/zinc/59/01/74/1201590174.db2.gz BKTRAIZOMBAIGW-VKJFTORMSA-N 1 1 360.458 0.890 20 30 FCEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O ZINC001090485585 1201598699 /nfs/dbraw/zinc/59/86/99/1201598699.db2.gz YGUREZYPRNLYDO-HUUCEWRRSA-N 1 1 369.429 0.424 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130534719 1202710537 /nfs/dbraw/zinc/71/05/37/1202710537.db2.gz BRSLVTVCIKSRPD-WMLDXEAASA-N 1 1 358.446 0.852 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130568026 1202719193 /nfs/dbraw/zinc/71/91/93/1202719193.db2.gz HZFLWBNZWVIMBZ-FUHWJXTLSA-N 1 1 369.473 0.826 20 30 FCEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2cn(C)nn2)c1 ZINC001130592670 1202726498 /nfs/dbraw/zinc/72/64/98/1202726498.db2.gz AYILSAHKOHQCOR-DOTOQJQBSA-N 1 1 369.473 0.682 20 30 FCEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCc3ccon3)CC2)cc1 ZINC000806394437 1202736797 /nfs/dbraw/zinc/73/67/97/1202736797.db2.gz NUHLAERUXXRZFA-UHFFFAOYSA-N 1 1 367.409 0.897 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCc3ccon3)CC2)cc1 ZINC000806394437 1202736801 /nfs/dbraw/zinc/73/68/01/1202736801.db2.gz NUHLAERUXXRZFA-UHFFFAOYSA-N 1 1 367.409 0.897 20 30 FCEDMO CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#CCOC)C1 ZINC001130706668 1202757486 /nfs/dbraw/zinc/75/74/86/1202757486.db2.gz RUJYBAUVMLHESL-FUHWJXTLSA-N 1 1 361.490 0.296 20 30 FCEDMO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#CCOC)C1 ZINC001130706668 1202757490 /nfs/dbraw/zinc/75/74/90/1202757490.db2.gz RUJYBAUVMLHESL-FUHWJXTLSA-N 1 1 361.490 0.296 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=COCCO3)n[nH]2)O1 ZINC001130752812 1202776349 /nfs/dbraw/zinc/77/63/49/1202776349.db2.gz BVXFBKFCWJCXCE-QWHCGFSZSA-N 1 1 361.402 0.142 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]n3)n[nH]2)O1 ZINC001130753132 1202776523 /nfs/dbraw/zinc/77/65/23/1202776523.db2.gz SEOUBNITOGZZEU-WCQYABFASA-N 1 1 371.401 0.063 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccn3)n[nH]2)O1 ZINC001130761607 1202777884 /nfs/dbraw/zinc/77/78/84/1202777884.db2.gz CPCAOEBYMZKMLL-SOUVJXGZSA-N 1 1 371.445 0.712 20 30 FCEDMO CC[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130757672 1202780210 /nfs/dbraw/zinc/78/02/10/1202780210.db2.gz FPNSIVGCZSTMHX-SOUVJXGZSA-N 1 1 363.462 0.927 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(CC)n[nH]3)n[nH]2)O1 ZINC001130758293 1202781043 /nfs/dbraw/zinc/78/10/43/1202781043.db2.gz WUGZIZWBKONFDT-GXTWGEPZSA-N 1 1 357.418 0.463 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)C#N)n[nH]2)O1 ZINC001130769417 1202785932 /nfs/dbraw/zinc/78/59/32/1202785932.db2.gz ITQCWLSGHDKXHB-MELADBBJSA-N 1 1 362.434 0.593 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)C#N)n[nH]2)O1 ZINC001130770000 1202786804 /nfs/dbraw/zinc/78/68/04/1202786804.db2.gz TWDWCOWEPVHKCI-HZSPNIEDSA-N 1 1 360.418 0.040 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(=O)C(C)(C)C)n[nH]2)O1 ZINC001130772124 1202787460 /nfs/dbraw/zinc/78/74/60/1202787460.db2.gz AERFRXAFFGTFEE-QWHCGFSZSA-N 1 1 361.446 0.869 20 30 FCEDMO CCOCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785485 1202789494 /nfs/dbraw/zinc/78/94/94/1202789494.db2.gz PTBHHLCCIHGWNA-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130785556 1202789498 /nfs/dbraw/zinc/78/94/98/1202789498.db2.gz UWSSTKHQVADQBI-SOUVJXGZSA-N 1 1 359.430 0.292 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccc3)n[nH]2)O1 ZINC001130776361 1202790025 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C#CCC[NH+]1CCN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000776594558 1209546378 /nfs/dbraw/zinc/54/63/78/1209546378.db2.gz MQHPPWSVQXQUPE-GOSISDBHSA-N 1 1 355.486 0.760 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CCOCC1 ZINC001110650846 1209554050 /nfs/dbraw/zinc/55/40/50/1209554050.db2.gz ASXYQINLVMFYPN-ZACQAIPSSA-N 1 1 374.485 0.553 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2C(=O)CNC2=O)CCC1 ZINC001110652524 1209556167 /nfs/dbraw/zinc/55/61/67/1209556167.db2.gz IRAWGDIPXGMPIJ-OAGGEKHMSA-N 1 1 372.469 0.843 20 30 FCEDMO C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001110658032 1209575111 /nfs/dbraw/zinc/57/51/11/1209575111.db2.gz JUXSEIBCVAFJMV-MLHJIOFPSA-N 1 1 362.518 0.988 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)[C@@H](O)C1 ZINC001220942596 1225150897 /nfs/dbraw/zinc/15/08/97/1225150897.db2.gz ZMIPKDKGWUDAFC-XKQJLSEDSA-N 1 1 360.458 0.985 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[nH]c1=O)C2 ZINC001110700094 1209688896 /nfs/dbraw/zinc/68/88/96/1209688896.db2.gz ZFYMIOXULJRPIP-BMFZPTHFSA-N 1 1 373.457 0.942 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[nH]c1=O)C2 ZINC001110700094 1209688898 /nfs/dbraw/zinc/68/88/98/1209688898.db2.gz ZFYMIOXULJRPIP-BMFZPTHFSA-N 1 1 373.457 0.942 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001110704088 1209690165 /nfs/dbraw/zinc/69/01/65/1209690165.db2.gz BGGOQBNAWSGGTJ-OJDYBEQGSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001110704088 1209690168 /nfs/dbraw/zinc/69/01/68/1209690168.db2.gz BGGOQBNAWSGGTJ-OJDYBEQGSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)[C@@H](O)C1 ZINC001220944544 1225151880 /nfs/dbraw/zinc/15/18/80/1225151880.db2.gz SCEVDFQGIZESCL-UAGQMJEPSA-N 1 1 365.474 0.141 20 30 FCEDMO COC(=O)C1(C#N)CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001220979367 1225172461 /nfs/dbraw/zinc/17/24/61/1225172461.db2.gz HKRFYOYYWUOJLS-OAHLLOKOSA-N 1 1 366.462 0.832 20 30 FCEDMO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000861784218 1209882130 /nfs/dbraw/zinc/88/21/30/1209882130.db2.gz UZJCKSOXYBOQHW-CQSZACIVSA-N 1 1 357.458 0.444 20 30 FCEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C2CCOCC2)nn1C ZINC000861872476 1209886835 /nfs/dbraw/zinc/88/68/35/1209886835.db2.gz QZVYGPRTKQESOH-UHFFFAOYSA-N 1 1 361.446 0.324 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncnc1)C2 ZINC001110818479 1209910709 /nfs/dbraw/zinc/91/07/09/1209910709.db2.gz HCUAAQVLKNFJNU-DZUCGIPZSA-N 1 1 355.442 0.269 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cncnc1)C2 ZINC001110818479 1209910713 /nfs/dbraw/zinc/91/07/13/1209910713.db2.gz HCUAAQVLKNFJNU-DZUCGIPZSA-N 1 1 355.442 0.269 20 30 FCEDMO COc1ccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1C#N ZINC000868206370 1210043876 /nfs/dbraw/zinc/04/38/76/1210043876.db2.gz KHGNCCUBFKHAGG-HNNXBMFYSA-N 1 1 357.414 0.995 20 30 FCEDMO CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)N1CCCC1=O ZINC001221005248 1225183597 /nfs/dbraw/zinc/18/35/97/1225183597.db2.gz ALCSRLCVYOHQGT-SQNIBIBYSA-N 1 1 370.453 0.621 20 30 FCEDMO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O)N1CCCC1=O ZINC001221005248 1225183600 /nfs/dbraw/zinc/18/36/00/1225183600.db2.gz ALCSRLCVYOHQGT-SQNIBIBYSA-N 1 1 370.453 0.621 20 30 FCEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cc(C#N)ccc2F)CC1=O ZINC000868389223 1210060330 /nfs/dbraw/zinc/06/03/30/1210060330.db2.gz YHZFZPPFUPAAIL-CQSZACIVSA-N 1 1 362.405 0.606 20 30 FCEDMO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)c1ccccc1 ZINC001221028801 1225191826 /nfs/dbraw/zinc/19/18/26/1225191826.db2.gz DXAOWXHLMXIRCN-KURKYZTESA-N 1 1 355.442 0.799 20 30 FCEDMO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1O)c1ccccc1 ZINC001221028801 1225191829 /nfs/dbraw/zinc/19/18/29/1225191829.db2.gz DXAOWXHLMXIRCN-KURKYZTESA-N 1 1 355.442 0.799 20 30 FCEDMO C=C[C@H](C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccccc1 ZINC001221044848 1225196371 /nfs/dbraw/zinc/19/63/71/1225196371.db2.gz MXYYEJWGJURUFD-BBWFWOEESA-N 1 1 371.437 0.267 20 30 FCEDMO C=C[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1O)c1ccccc1 ZINC001221044848 1225196377 /nfs/dbraw/zinc/19/63/77/1225196377.db2.gz MXYYEJWGJURUFD-BBWFWOEESA-N 1 1 371.437 0.267 20 30 FCEDMO C=C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccccc1 ZINC001221044798 1225196556 /nfs/dbraw/zinc/19/65/56/1225196556.db2.gz KOAOYBJWPMENPD-KURKYZTESA-N 1 1 357.454 0.740 20 30 FCEDMO C=C[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1O)c1ccccc1 ZINC001221044798 1225196560 /nfs/dbraw/zinc/19/65/60/1225196560.db2.gz KOAOYBJWPMENPD-KURKYZTESA-N 1 1 357.454 0.740 20 30 FCEDMO COc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1C#N ZINC000873806959 1210260612 /nfs/dbraw/zinc/26/06/12/1210260612.db2.gz BFMJMOZOZFWNMG-CQSZACIVSA-N 1 1 373.457 0.648 20 30 FCEDMO COc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CCN(C)C)cc1C#N ZINC000873883993 1210268055 /nfs/dbraw/zinc/26/80/55/1210268055.db2.gz BGUMSFHGFZJXDC-UHFFFAOYSA-N 1 1 361.446 0.505 20 30 FCEDMO COc1ccc(NC(=O)C(=O)NCCCN(C)CC[NH+](C)C)cc1C#N ZINC000873883993 1210268059 /nfs/dbraw/zinc/26/80/59/1210268059.db2.gz BGUMSFHGFZJXDC-UHFFFAOYSA-N 1 1 361.446 0.505 20 30 FCEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000875058164 1210332737 /nfs/dbraw/zinc/33/27/37/1210332737.db2.gz FZAHQOMTWWCEDG-GOSISDBHSA-N 1 1 357.454 0.706 20 30 FCEDMO C#CC[C@H](CCOC)NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000875058164 1210332741 /nfs/dbraw/zinc/33/27/41/1210332741.db2.gz FZAHQOMTWWCEDG-GOSISDBHSA-N 1 1 357.454 0.706 20 30 FCEDMO COC(=O)Cn1cc(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)nn1 ZINC000879589275 1210491098 /nfs/dbraw/zinc/49/10/98/1210491098.db2.gz DIFOILOSPRGVQN-UHFFFAOYSA-N 1 1 372.404 0.827 20 30 FCEDMO C#CC1(F)CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000883106416 1210653419 /nfs/dbraw/zinc/65/34/19/1210653419.db2.gz RVPQYRDCWJYMAN-UHFFFAOYSA-N 1 1 358.417 0.941 20 30 FCEDMO COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000883654777 1210681199 /nfs/dbraw/zinc/68/11/99/1210681199.db2.gz MYWNFQSXRIREMG-APWZRJJASA-N 1 1 356.426 0.930 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(CC(=O)NCCC)CC2)C1 ZINC000884055706 1210712148 /nfs/dbraw/zinc/71/21/48/1210712148.db2.gz WXCOVZBWMZFKEF-KRWDZBQOSA-N 1 1 363.506 0.374 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(CC(=O)NCCC)CC2)C1 ZINC000884055706 1210712152 /nfs/dbraw/zinc/71/21/52/1210712152.db2.gz WXCOVZBWMZFKEF-KRWDZBQOSA-N 1 1 363.506 0.374 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000884407500 1210733486 /nfs/dbraw/zinc/73/34/86/1210733486.db2.gz FHHUNWQHZCQOKQ-KRWDZBQOSA-N 1 1 364.490 0.265 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(N3CCOCC3)CCOCC2)C1 ZINC000884407500 1210733489 /nfs/dbraw/zinc/73/34/89/1210733489.db2.gz FHHUNWQHZCQOKQ-KRWDZBQOSA-N 1 1 364.490 0.265 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001221145839 1225238859 /nfs/dbraw/zinc/23/88/59/1225238859.db2.gz NAQPGNCELNXDRU-OLMNPRSZSA-N 1 1 364.442 0.826 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)C[C@@H]1O ZINC001221145839 1225238865 /nfs/dbraw/zinc/23/88/65/1225238865.db2.gz NAQPGNCELNXDRU-OLMNPRSZSA-N 1 1 364.442 0.826 20 30 FCEDMO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](CC(=O)N(CC)CCC#N)[C@@H]1C ZINC001691724478 1210848133 /nfs/dbraw/zinc/84/81/33/1210848133.db2.gz NSHNTXINBBGOGF-KBMXLJTQSA-N 1 1 365.478 0.242 20 30 FCEDMO CC[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H]1C ZINC001691724478 1210848134 /nfs/dbraw/zinc/84/81/34/1210848134.db2.gz NSHNTXINBBGOGF-KBMXLJTQSA-N 1 1 365.478 0.242 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nccc(C)n2)C3)C1=O ZINC001095369664 1210849487 /nfs/dbraw/zinc/84/94/87/1210849487.db2.gz AUWLDRKINSPSHT-FXUDXRNXSA-N 1 1 355.442 0.907 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2nccc(C)n2)C3)C1=O ZINC001095369664 1210849489 /nfs/dbraw/zinc/84/94/89/1210849489.db2.gz AUWLDRKINSPSHT-FXUDXRNXSA-N 1 1 355.442 0.907 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000887620540 1210881212 /nfs/dbraw/zinc/88/12/12/1210881212.db2.gz HIOPCVHUKLSMOF-AWEZNQCLSA-N 1 1 355.446 0.077 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 ZINC000887620540 1210881216 /nfs/dbraw/zinc/88/12/16/1210881216.db2.gz HIOPCVHUKLSMOF-AWEZNQCLSA-N 1 1 355.446 0.077 20 30 FCEDMO C#CCC1(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCOCC1 ZINC000888056548 1210927943 /nfs/dbraw/zinc/92/79/43/1210927943.db2.gz QAUYWXIVMOBXLJ-MRXNPFEDSA-N 1 1 364.490 0.801 20 30 FCEDMO C#CCC1(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCOCC1 ZINC000888056547 1210928368 /nfs/dbraw/zinc/92/83/68/1210928368.db2.gz 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C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]2OC)cc1 ZINC001082012682 1256495040 /nfs/dbraw/zinc/49/50/40/1256495040.db2.gz DLEQJURRBJENQA-IAGOWNOFSA-N 1 1 369.421 0.246 20 30 FCEDMO COc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082018791 1256499302 /nfs/dbraw/zinc/49/93/02/1256499302.db2.gz VDCGVVILVHJBTG-IAGOWNOFSA-N 1 1 369.425 0.930 20 30 FCEDMO COc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001082018791 1256499305 /nfs/dbraw/zinc/49/93/05/1256499305.db2.gz VDCGVVILVHJBTG-IAGOWNOFSA-N 1 1 369.425 0.930 20 30 FCEDMO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001082029334 1256503318 /nfs/dbraw/zinc/50/33/18/1256503318.db2.gz PVTMRBOKMLOFEH-IXDOHACOSA-N 1 1 356.426 0.494 20 30 FCEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001082029334 1256503324 /nfs/dbraw/zinc/50/33/24/1256503324.db2.gz PVTMRBOKMLOFEH-IXDOHACOSA-N 1 1 356.426 0.494 20 30 FCEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001082030292 1256504766 /nfs/dbraw/zinc/50/47/66/1256504766.db2.gz DBFQPSPBYGYRPC-IXDOHACOSA-N 1 1 356.426 0.494 20 30 FCEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001082030292 1256504770 /nfs/dbraw/zinc/50/47/70/1256504770.db2.gz DBFQPSPBYGYRPC-IXDOHACOSA-N 1 1 356.426 0.494 20 30 FCEDMO CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082039608 1256507682 /nfs/dbraw/zinc/50/76/82/1256507682.db2.gz BGGNAKYWIQDWCL-ZRSRNVLSSA-N 1 1 371.437 0.797 20 30 FCEDMO CO[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001082039608 1256507686 /nfs/dbraw/zinc/50/76/86/1256507686.db2.gz BGGNAKYWIQDWCL-ZRSRNVLSSA-N 1 1 371.437 0.797 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOC3CCC3)C[C@H]2OC)nn1 ZINC001082219013 1256596087 /nfs/dbraw/zinc/59/60/87/1256596087.db2.gz POSSZWDHZGAGJM-NVXWUHKLSA-N 1 1 363.462 0.852 20 30 FCEDMO 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Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001512913499 1264735697 /nfs/dbraw/zinc/73/56/97/1264735697.db2.gz HYIRCPPDFMXBPW-HZPDHXFCSA-N 1 1 370.413 0.173 20 30 FCEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001326129456 1265062622 /nfs/dbraw/zinc/06/26/22/1265062622.db2.gz XEZMCTITTXLDRN-KXBFYZLASA-N 1 1 364.490 0.880 20 30 FCEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001326129442 1265063071 /nfs/dbraw/zinc/06/30/71/1265063071.db2.gz XEZMCTITTXLDRN-BEFAXECRSA-N 1 1 364.490 0.880 20 30 FCEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC001327274656 1265274406 /nfs/dbraw/zinc/27/44/06/1265274406.db2.gz JRANZPZPYIVUQJ-UGSOOPFHSA-N 1 1 368.437 0.747 20 30 FCEDMO C=CC[C@@H](NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1)c1ccncc1 ZINC001327521693 1265349753 /nfs/dbraw/zinc/34/97/53/1265349753.db2.gz LSWSDKRESUHOGI-GOSISDBHSA-N 1 1 373.501 0.959 20 30 FCEDMO C=C(C)Cn1c(-c2ncnn2C)nnc1N1CC[NH+](CCOCC)CC1 ZINC001523716813 1266656774 /nfs/dbraw/zinc/65/67/74/1266656774.db2.gz DMULKDJIBULLCN-UHFFFAOYSA-N 1 1 360.466 0.808 20 30 FCEDMO C=C(C)Cn1c([C@H]2CCNC(=O)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001524249110 1266698164 /nfs/dbraw/zinc/69/81/64/1266698164.db2.gz YRSKUETUUSVHJJ-GJZGRUSLSA-N 1 1 360.462 0.369 20 30 FCEDMO C=C(C)Cn1c([C@H]2CCNC(=O)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001524249110 1266698171 /nfs/dbraw/zinc/69/81/71/1266698171.db2.gz YRSKUETUUSVHJJ-GJZGRUSLSA-N 1 1 360.462 0.369 20 30 FCEDMO CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546533477 1267655414 /nfs/dbraw/zinc/65/54/14/1267655414.db2.gz RYIZZUDYJKETCS-CRAIPNDOSA-N 1 1 359.478 0.084 20 30 FCEDMO CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 ZINC001547590992 1267672809 /nfs/dbraw/zinc/67/28/09/1267672809.db2.gz YQWBICYTEJVGES-HOCLYGCPSA-N 1 1 360.462 0.995 20 30 FCEDMO C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001338920514 1268121227 /nfs/dbraw/zinc/12/12/27/1268121227.db2.gz GCAMZOJBZZABJT-CABCVRRESA-N 1 1 373.461 0.654 20 30 FCEDMO C=CCn1c(-c2nc(CO)cs2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001339056228 1268159190 /nfs/dbraw/zinc/15/91/90/1268159190.db2.gz JIHSRIDBGWMJII-CYBMUJFWSA-N 1 1 362.459 0.601 20 30 FCEDMO C=CCn1c(-c2nc(CO)cs2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001339056228 1268159195 /nfs/dbraw/zinc/15/91/95/1268159195.db2.gz JIHSRIDBGWMJII-CYBMUJFWSA-N 1 1 362.459 0.601 20 30 FCEDMO C=CCn1c([C@H](O)COC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001339146244 1268176243 /nfs/dbraw/zinc/17/62/43/1268176243.db2.gz SFZNVYRAPVXEGB-GDBMZVCRSA-N 1 1 365.478 0.833 20 30 FCEDMO C=CCn1c(N2CC[NH+](CCOC(C)C)CC2)nnc1[C@](C)(O)COC ZINC001339757451 1268320714 /nfs/dbraw/zinc/32/07/14/1268320714.db2.gz RNEZZSVVJCUAQI-GOSISDBHSA-N 1 1 367.494 0.865 20 30 FCEDMO C=CCn1c(-c2c[nH]cn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001339828975 1268340789 /nfs/dbraw/zinc/34/07/89/1268340789.db2.gz HGJBVAQLMPRIPK-HNNXBMFYSA-N 1 1 370.461 0.597 20 30 FCEDMO C=CCn1c([C@H]2CCc3n[nH]cc3C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001340385702 1268531287 /nfs/dbraw/zinc/53/12/87/1268531287.db2.gz NMHWRCVKAXNGPG-HOCLYGCPSA-N 1 1 369.473 0.981 20 30 FCEDMO C=CCn1c([C@H]2CCc3n[nH]cc3C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001340385702 1268531294 /nfs/dbraw/zinc/53/12/94/1268531294.db2.gz NMHWRCVKAXNGPG-HOCLYGCPSA-N 1 1 369.473 0.981 20 30 FCEDMO C=CCn1c(-c2ccn(C)c(=O)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340412736 1268539216 /nfs/dbraw/zinc/53/92/16/1268539216.db2.gz MPKKIOSZMNGAIG-UHFFFAOYSA-N 1 1 358.446 0.598 20 30 FCEDMO C=CCn1c(C[S@@](C)=O)nnc1N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC001340553660 1268584685 /nfs/dbraw/zinc/58/46/85/1268584685.db2.gz DRPMVIBIGMZZNH-QWJLCTJOSA-N 1 1 355.508 0.888 20 30 FCEDMO C=CCn1c(C[S@@](C)=O)nnc1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC001340553660 1268584691 /nfs/dbraw/zinc/58/46/91/1268584691.db2.gz DRPMVIBIGMZZNH-QWJLCTJOSA-N 1 1 355.508 0.888 20 30 FCEDMO C=CCn1c(N2CC[NH+]([C@@H]3CCOC3)CC2)nnc1[C@@](C)(O)COC ZINC001340600858 1268599332 /nfs/dbraw/zinc/59/93/32/1268599332.db2.gz RIXUYMJMJMWGRK-PBHICJAKSA-N 1 1 351.451 0.229 20 30 FCEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001341414925 1268981968 /nfs/dbraw/zinc/98/19/68/1268981968.db2.gz PWJNPMBVACHCBL-AWEZNQCLSA-N 1 1 358.442 0.478 20 30 FCEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001341414925 1268981974 /nfs/dbraw/zinc/98/19/74/1268981974.db2.gz PWJNPMBVACHCBL-AWEZNQCLSA-N 1 1 358.442 0.478 20 30 FCEDMO C=CCn1c(Cc2nnc(C)[nH]2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001342212798 1269400902 /nfs/dbraw/zinc/40/09/02/1269400902.db2.gz YHCXRXIFZAVBIL-HNNXBMFYSA-N 1 1 372.477 0.782 20 30 FCEDMO Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C)CC2)c1C#N ZINC001342869783 1269653698 /nfs/dbraw/zinc/65/36/98/1269653698.db2.gz QYDABQIXCOWEJG-OAHLLOKOSA-N 1 1 359.478 0.916 20 30 FCEDMO C=C(C)Cn1c(-c2n[nH]nc2C)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001342870750 1269654238 /nfs/dbraw/zinc/65/42/38/1269654238.db2.gz CQVYGUKHEGERIG-CQSZACIVSA-N 1 1 358.450 0.859 20 30 FCEDMO COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001342945544 1269694168 /nfs/dbraw/zinc/69/41/68/1269694168.db2.gz VRHUBGYSJRGLIZ-BZUAXINKSA-N 1 1 360.462 0.853 20 30 FCEDMO COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001342945546 1269694209 /nfs/dbraw/zinc/69/42/09/1269694209.db2.gz VRHUBGYSJRGLIZ-OWCLPIDISA-N 1 1 360.462 0.853 20 30 FCEDMO CC(C)(C#N)Cc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCOC1 ZINC001344091380 1270092748 /nfs/dbraw/zinc/09/27/48/1270092748.db2.gz DSHNADOUTXBNBD-JKSUJKDBSA-N 1 1 374.489 0.928 20 30 FCEDMO CC(C)(C#N)Cc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCOC1 ZINC001344091380 1270092757 /nfs/dbraw/zinc/09/27/57/1270092757.db2.gz DSHNADOUTXBNBD-JKSUJKDBSA-N 1 1 374.489 0.928 20 30 FCEDMO C#CCN(C(=O)c1cnn(CC)c1)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001574927831 1271680498 /nfs/dbraw/zinc/68/04/98/1271680498.db2.gz BPHBVQQBJQNYRV-UHFFFAOYSA-N 1 1 355.446 0.804 20 30 FCEDMO C#CCN(Cc1c[nH]nn1)c1nnc(-c2cnccn2)n1C[C@@H](C)[NH+](C)C ZINC001574937896 1271683030 /nfs/dbraw/zinc/68/30/30/1271683030.db2.gz RPIZSJFCLYTYNE-CYBMUJFWSA-N 1 1 366.433 0.443 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575004548 1271691918 /nfs/dbraw/zinc/69/19/18/1271691918.db2.gz FZWAIGXPFVBTCK-LSDHHAIUSA-N 1 1 360.462 0.094 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 ZINC001575004548 1271691922 /nfs/dbraw/zinc/69/19/22/1271691922.db2.gz FZWAIGXPFVBTCK-LSDHHAIUSA-N 1 1 360.462 0.094 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575021530 1271696003 /nfs/dbraw/zinc/69/60/03/1271696003.db2.gz HHPITBMEQJGGCS-UONOGXRCSA-N 1 1 368.441 0.541 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575023202 1271697918 /nfs/dbraw/zinc/69/79/18/1271697918.db2.gz ZMOZMQWLGGHOPG-KBPBESRZSA-N 1 1 368.441 0.541 20 30 FCEDMO C=C(C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCc2c[nH]nn2)[C@H](CC)C1 ZINC001575049557 1271700452 /nfs/dbraw/zinc/70/04/52/1271700452.db2.gz OGQGTTMGQXNVJZ-ZBFHGGJFSA-N 1 1 362.478 0.994 20 30 FCEDMO C=C(C)C[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001575048429 1271700634 /nfs/dbraw/zinc/70/06/34/1271700634.db2.gz NQASAGZRUNSMSD-HNNXBMFYSA-N 1 1 361.450 0.197 20 30 FCEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001575079458 1271712745 /nfs/dbraw/zinc/71/27/45/1271712745.db2.gz XRSLZNPVGROMFL-KGLIPLIRSA-N 1 1 362.478 0.850 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCCO1 ZINC001575100866 1271718716 /nfs/dbraw/zinc/71/87/16/1271718716.db2.gz XYQNWEKJPGXDRX-HOCLYGCPSA-N 1 1 351.451 0.536 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](CCc2cn[nH]n2)CCCO1 ZINC001575100866 1271718722 /nfs/dbraw/zinc/71/87/22/1271718722.db2.gz XYQNWEKJPGXDRX-HOCLYGCPSA-N 1 1 351.451 0.536 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCCO1 ZINC001575100866 1271718735 /nfs/dbraw/zinc/71/87/35/1271718735.db2.gz XYQNWEKJPGXDRX-HOCLYGCPSA-N 1 1 351.451 0.536 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575105074 1271721465 /nfs/dbraw/zinc/72/14/65/1271721465.db2.gz ZWJYIVNKLFKIGU-OLZOCXBDSA-N 1 1 371.445 0.513 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1ccc(-c2c[nH]nn2)nc1 ZINC001575105075 1271721568 /nfs/dbraw/zinc/72/15/68/1271721568.db2.gz ZWJYIVNKLFKIGU-QWHCGFSZSA-N 1 1 371.445 0.513 20 30 FCEDMO C=CCOCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3cn[nH]n3)cn2)CCO1 ZINC001575110220 1271724052 /nfs/dbraw/zinc/72/40/52/1271724052.db2.gz LUTMZWHAMGMRHV-HNNXBMFYSA-N 1 1 372.429 0.500 20 30 FCEDMO CC#CCCCC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001575117537 1271731625 /nfs/dbraw/zinc/73/16/25/1271731625.db2.gz NXQMABFNGYCVQH-KRWDZBQOSA-N 1 1 374.489 0.975 20 30 FCEDMO CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(OCc2c[nH]nn2)cc1 ZINC001575123882 1271733990 /nfs/dbraw/zinc/73/39/90/1271733990.db2.gz XXELXUUOBHJPKO-MRXNPFEDSA-N 1 1 357.414 0.430 20 30 FCEDMO CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCc2cn[nH]n2)C1 ZINC001575318555 1271917386 /nfs/dbraw/zinc/91/73/86/1271917386.db2.gz LPSQAPGQRWNPEA-GDBMZVCRSA-N 1 1 358.446 0.003 20 30 FCEDMO CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001575318555 1271917398 /nfs/dbraw/zinc/91/73/98/1271917398.db2.gz LPSQAPGQRWNPEA-GDBMZVCRSA-N 1 1 358.446 0.003 20 30 FCEDMO CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCc2c[nH]nn2)C1 ZINC001575318555 1271917405 /nfs/dbraw/zinc/91/74/05/1271917405.db2.gz LPSQAPGQRWNPEA-GDBMZVCRSA-N 1 1 358.446 0.003 20 30 FCEDMO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)C#CC2CC2)C1)C(=O)NCc1c[nH]nn1 ZINC001575676014 1272288443 /nfs/dbraw/zinc/28/84/43/1272288443.db2.gz IABSHKBPWIHOPX-HIFRSBDPSA-N 1 1 358.446 0.051 20 30 FCEDMO C[N@H+](CC(=O)NCc1cn[nH]n1)C[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001576781760 1273670242 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356.426 0.891 20 30 FCEDMO N#CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000597912027 492072697 /nfs/dbraw/zinc/07/26/97/492072697.db2.gz FGTYZFRHICECNF-SJORKVTESA-N 1 1 362.474 0.852 20 30 FCEDMO N#CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000597912024 492072916 /nfs/dbraw/zinc/07/29/16/492072916.db2.gz FGTYZFRHICECNF-IAGOWNOFSA-N 1 1 362.474 0.852 20 30 FCEDMO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000599165924 492138690 /nfs/dbraw/zinc/13/86/90/492138690.db2.gz WCDKMONDXPVWMZ-UHFFFAOYSA-N 1 1 353.448 0.761 20 30 FCEDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CCN2C1=O ZINC000599306780 492158217 /nfs/dbraw/zinc/15/82/17/492158217.db2.gz KPKJLNIKXGCWLH-LSDHHAIUSA-N 1 1 358.398 0.266 20 30 FCEDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)nn1 ZINC000599364865 492164960 /nfs/dbraw/zinc/16/49/60/492164960.db2.gz NCTPXJVJBSSYLF-CABCVRRESA-N 1 1 371.397 0.623 20 30 FCEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000599575674 492190508 /nfs/dbraw/zinc/19/05/08/492190508.db2.gz XBPNESRXLIKLRA-UHFFFAOYSA-N 1 1 353.386 0.524 20 30 FCEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575182 492190607 /nfs/dbraw/zinc/19/06/07/492190607.db2.gz ODYAGVNQAMDQJW-LBPRGKRZSA-N 1 1 367.413 0.913 20 30 FCEDMO N#Cc1ccc(NCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000608861354 492194306 /nfs/dbraw/zinc/19/43/06/492194306.db2.gz PIMOMTWLVKLMBF-KRWDZBQOSA-N 1 1 355.442 0.911 20 30 FCEDMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000609097202 492197229 /nfs/dbraw/zinc/19/72/29/492197229.db2.gz UXBIQEPREKCQCN-SFHVURJKSA-N 1 1 369.469 0.854 20 30 FCEDMO COc1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(F)cc1C#N ZINC000599944890 492220006 /nfs/dbraw/zinc/22/00/06/492220006.db2.gz VFDYMVNWKZQISF-LBPRGKRZSA-N 1 1 363.393 0.006 20 30 FCEDMO N#CCN1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000610163779 492236857 /nfs/dbraw/zinc/23/68/57/492236857.db2.gz FBNBHNMUNQQGSU-HXUWFJFHSA-N 1 1 371.485 0.911 20 30 FCEDMO CCN1C(=O)[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000610616210 492254748 /nfs/dbraw/zinc/25/47/48/492254748.db2.gz YRPFVGABAKQIKF-HNNXBMFYSA-N 1 1 355.398 0.855 20 30 FCEDMO C=CCOC[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)OC ZINC000619544187 492269104 /nfs/dbraw/zinc/26/91/04/492269104.db2.gz GTBIZLUFRZZKNG-QFBILLFUSA-N 1 1 362.426 0.484 20 30 FCEDMO N#CC1(CCC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CCOCC1 ZINC000619620136 492272272 /nfs/dbraw/zinc/27/22/72/492272272.db2.gz YRVJEICFAVYMJK-UHFFFAOYSA-N 1 1 362.474 0.854 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000619708622 492276347 /nfs/dbraw/zinc/27/63/47/492276347.db2.gz IENMDOCJKWFYDD-CVEARBPZSA-N 1 1 358.508 0.899 20 30 FCEDMO CC[N@H+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000611087921 492277618 /nfs/dbraw/zinc/27/76/18/492277618.db2.gz RZLDNAIAVGYFIG-UONOGXRCSA-N 1 1 364.471 0.778 20 30 FCEDMO N#Cc1ccccc1N1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000611200757 492281220 /nfs/dbraw/zinc/28/12/20/492281220.db2.gz WJXKINKJUPNINY-LJQANCHMSA-N 1 1 353.470 0.987 20 30 FCEDMO N#Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)nn1 ZINC000611241282 492282817 /nfs/dbraw/zinc/28/28/17/492282817.db2.gz PQDYHOAVMQSOHJ-UHFFFAOYSA-N 1 1 358.446 0.403 20 30 FCEDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000611303552 492285083 /nfs/dbraw/zinc/28/50/83/492285083.db2.gz VQLNHMZPMWPHBG-RDJZCZTQSA-N 1 1 367.471 0.506 20 30 FCEDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000611303552 492285084 /nfs/dbraw/zinc/28/50/84/492285084.db2.gz VQLNHMZPMWPHBG-RDJZCZTQSA-N 1 1 367.471 0.506 20 30 FCEDMO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611365481 492286614 /nfs/dbraw/zinc/28/66/14/492286614.db2.gz UUUZATOUVFTVDV-HZPDHXFCSA-N 1 1 372.425 0.563 20 30 FCEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc2)CC1 ZINC000611365021 492286739 /nfs/dbraw/zinc/28/67/39/492286739.db2.gz DXRFYPCDLDEYCA-CQSZACIVSA-N 1 1 371.441 0.679 20 30 FCEDMO C=C(C)Cn1c(COC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000642702582 492375470 /nfs/dbraw/zinc/37/54/70/492375470.db2.gz RWPGFFJBUUDNLP-HNNXBMFYSA-N 1 1 362.478 0.743 20 30 FCEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000656358250 492612026 /nfs/dbraw/zinc/61/20/26/492612026.db2.gz PZEQQBIOVRCWOQ-JYJNAYRXSA-N 1 1 362.474 0.365 20 30 FCEDMO C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000624847673 492690206 /nfs/dbraw/zinc/69/02/06/492690206.db2.gz RZIBKWAMGXAGLQ-OAHLLOKOSA-N 1 1 370.461 0.597 20 30 FCEDMO CC(=O)NC[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938852 /nfs/dbraw/zinc/93/88/52/492938852.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 1 1 362.518 0.971 20 30 FCEDMO CC(=O)NC[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938853 /nfs/dbraw/zinc/93/88/53/492938853.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 1 1 362.518 0.971 20 30 FCEDMO CC(=O)NC[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1CNC(C)=O ZINC000626158035 492938859 /nfs/dbraw/zinc/93/88/59/492938859.db2.gz HUYGPMQDJUNUPF-BGYRXZFFSA-N 1 1 362.518 0.971 20 30 FCEDMO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000658570703 492960273 /nfs/dbraw/zinc/96/02/73/492960273.db2.gz QDXZZAVDKLGFDJ-KRWDZBQOSA-N 1 1 350.507 0.897 20 30 FCEDMO C=CCNS(=O)(=O)c1ccccc1NC1CC[NH+](CC(=O)NC)CC1 ZINC000641286200 493201370 /nfs/dbraw/zinc/20/13/70/493201370.db2.gz UDWKRQFLBKGGND-UHFFFAOYSA-N 1 1 366.487 0.773 20 30 FCEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1N(CC)CC ZINC000662167711 493494735 /nfs/dbraw/zinc/49/47/35/493494735.db2.gz MTNSVIWNAQJASL-GFCCVEGCSA-N 1 1 370.475 0.255 20 30 FCEDMO COC(=O)Cn1cc(CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)nn1 ZINC000124698886 533788877 /nfs/dbraw/zinc/78/88/77/533788877.db2.gz LHAQEBFXRUPANJ-GOSISDBHSA-N 1 1 368.441 0.876 20 30 FCEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411964008 534642702 /nfs/dbraw/zinc/64/27/02/534642702.db2.gz IJNKMLVEUWJPTK-LJQANCHMSA-N 1 1 353.426 0.771 20 30 FCEDMO Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000410427189 534712796 /nfs/dbraw/zinc/71/27/96/534712796.db2.gz UPHBIXDMUJXRBG-HNNXBMFYSA-N 1 1 366.443 0.702 20 30 FCEDMO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261733897 526383692 /nfs/dbraw/zinc/38/36/92/526383692.db2.gz JTQLGKKBUSJKDS-ZWNOBZJWSA-N 1 1 371.532 0.543 20 30 FCEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000264385709 526452513 /nfs/dbraw/zinc/45/25/13/526452513.db2.gz MMOTVPMLJBETJV-UHFFFAOYSA-N 1 1 364.427 0.970 20 30 FCEDMO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CC1 ZINC000413239901 526585131 /nfs/dbraw/zinc/58/51/31/526585131.db2.gz MPEAWWSRZGQIMH-HNNXBMFYSA-N 1 1 352.479 0.773 20 30 FCEDMO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000264830466 526669803 /nfs/dbraw/zinc/66/98/03/526669803.db2.gz TYBZDRPHLTVRNN-UHFFFAOYSA-N 1 1 369.512 0.930 20 30 FCEDMO C#CCC[NH+]1CCN(C(=O)c2ccnc3c(C(=O)OCC)cnn32)CC1 ZINC000119666830 526728014 /nfs/dbraw/zinc/72/80/14/526728014.db2.gz INKRZWRWPGOJHR-UHFFFAOYSA-N 1 1 355.398 0.687 20 30 FCEDMO C#CC[N@@H+](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000192228876 526832494 /nfs/dbraw/zinc/83/24/94/526832494.db2.gz BGASRMBLFLQCDW-INIZCTEOSA-N 1 1 363.483 0.781 20 30 FCEDMO C#CC[N@H+](C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000192228876 526832499 /nfs/dbraw/zinc/83/24/99/526832499.db2.gz BGASRMBLFLQCDW-INIZCTEOSA-N 1 1 363.483 0.781 20 30 FCEDMO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000174683529 527056681 /nfs/dbraw/zinc/05/66/81/527056681.db2.gz ZJKVFOSZILYXAW-JKSUJKDBSA-N 1 1 361.467 0.907 20 30 FCEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000266614529 527088936 /nfs/dbraw/zinc/08/89/36/527088936.db2.gz HDLJJTYJVYLKEI-UHFFFAOYSA-N 1 1 365.430 0.941 20 30 FCEDMO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000265707537 527119843 /nfs/dbraw/zinc/11/98/43/527119843.db2.gz MMCROERWUOLEHL-OAHLLOKOSA-N 1 1 359.426 0.722 20 30 FCEDMO C#CCOc1ccccc1NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000189770380 527130198 /nfs/dbraw/zinc/13/01/98/527130198.db2.gz VCIDFSPSXLRPKD-UHFFFAOYSA-N 1 1 372.469 0.733 20 30 FCEDMO C=CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000121461753 527559934 /nfs/dbraw/zinc/55/99/34/527559934.db2.gz HTXGJBFCZZWDNJ-UHFFFAOYSA-N 1 1 358.442 0.586 20 30 FCEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)C(C)C ZINC000263747224 527645110 /nfs/dbraw/zinc/64/51/10/527645110.db2.gz WSRBNXCWJYMSBG-INIZCTEOSA-N 1 1 357.520 0.532 20 30 FCEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)C(C)C ZINC000263747227 527648760 /nfs/dbraw/zinc/64/87/60/527648760.db2.gz WSRBNXCWJYMSBG-MRXNPFEDSA-N 1 1 357.520 0.532 20 30 FCEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000104092021 527928138 /nfs/dbraw/zinc/92/81/38/527928138.db2.gz PDEDZVHNAOULKS-IBGZPJMESA-N 1 1 374.489 0.916 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000409491232 528707903 /nfs/dbraw/zinc/70/79/03/528707903.db2.gz NQOITWUSVNQWGQ-KGLIPLIRSA-N 1 1 360.480 0.282 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000409491232 528707906 /nfs/dbraw/zinc/70/79/06/528707906.db2.gz NQOITWUSVNQWGQ-KGLIPLIRSA-N 1 1 360.480 0.282 20 30 FCEDMO CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@@H]1CC ZINC000410432126 528731852 /nfs/dbraw/zinc/73/18/52/528731852.db2.gz JAVKFEDFYCRNIZ-INIZCTEOSA-N 1 1 350.463 0.708 20 30 FCEDMO CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)C[C@@H]1CC ZINC000410432126 528731858 /nfs/dbraw/zinc/73/18/58/528731858.db2.gz JAVKFEDFYCRNIZ-INIZCTEOSA-N 1 1 350.463 0.708 20 30 FCEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000246145601 528900228 /nfs/dbraw/zinc/90/02/28/528900228.db2.gz SKCJSWFWPRRHGU-MSOLQXFVSA-N 1 1 363.506 0.085 20 30 FCEDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(C#N)s2)CC1=O ZINC000425313164 536799784 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/nfs/dbraw/zinc/29/54/07/1201295407.db2.gz WRPNVMREXAHQFD-MSOLQXFVSA-N 1 1 366.425 0.512 20 30 FCEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129454070 1201311796 /nfs/dbraw/zinc/31/17/96/1201311796.db2.gz VJDSLXIJNWNSSK-NXHRZFHOSA-N 1 1 355.442 0.972 20 30 FCEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](CCO)C[C@@H]1n1ccnn1)c1ccccc1 ZINC001129454070 1201311803 /nfs/dbraw/zinc/31/18/03/1201311803.db2.gz VJDSLXIJNWNSSK-NXHRZFHOSA-N 1 1 355.442 0.972 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001129438436 1201318420 /nfs/dbraw/zinc/31/84/20/1201318420.db2.gz VGRPODWNWAMZLZ-WQVCFCJDSA-N 1 1 371.445 0.715 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2cccnc2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129466135 1201320111 /nfs/dbraw/zinc/32/01/11/1201320111.db2.gz XLNUKBYXSKHKDU-SQNIBIBYSA-N 1 1 367.457 0.341 20 30 FCEDMO C#CCN1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484722 1201332140 /nfs/dbraw/zinc/33/21/40/1201332140.db2.gz DBCRQAAMNPRFQK-MSOLQXFVSA-N 1 1 352.442 0.385 20 30 FCEDMO C#CCN1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484722 1201332149 /nfs/dbraw/zinc/33/21/49/1201332149.db2.gz DBCRQAAMNPRFQK-MSOLQXFVSA-N 1 1 352.442 0.385 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001129496490 1201334203 /nfs/dbraw/zinc/33/42/03/1201334203.db2.gz OJRKUYSJCQYCCD-CVEARBPZSA-N 1 1 358.450 0.347 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2nccnc2C(N)=O)C1 ZINC001086622986 1201336735 /nfs/dbraw/zinc/33/67/35/1201336735.db2.gz DRNXTWZCIIHGIY-JKSUJKDBSA-N 1 1 363.421 0.797 20 30 FCEDMO Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129822061 1201400976 /nfs/dbraw/zinc/40/09/76/1201400976.db2.gz CSVQGHSJOCFOTM-SJORKVTESA-N 1 1 353.430 0.578 20 30 FCEDMO CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129825296 1201402320 /nfs/dbraw/zinc/40/23/20/1201402320.db2.gz RHFMNAFSQVZKHL-WBVHZDCISA-N 1 1 370.461 0.399 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001129918558 1201440875 /nfs/dbraw/zinc/44/08/75/1201440875.db2.gz DKPDJAPUPIJZSC-OLMNPRSZSA-N 1 1 367.457 0.480 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)[C@@H](n2ccnn2)C1 ZINC001129977694 1201460588 /nfs/dbraw/zinc/46/05/88/1201460588.db2.gz BRXNKXKSGKSSDO-BMFZPTHFSA-N 1 1 358.450 0.551 20 30 FCEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCn1cnc(C#N)n1 ZINC000804973952 1201481418 /nfs/dbraw/zinc/48/14/18/1201481418.db2.gz SXOGUMVEVYOELT-UHFFFAOYSA-N 1 1 351.374 0.538 20 30 FCEDMO C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001130083931 1201493497 /nfs/dbraw/zinc/49/34/97/1201493497.db2.gz QUHYASSGBRNXRT-CABCVRRESA-N 1 1 358.450 0.727 20 30 FCEDMO C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2conc2C)[C@@H](n2ccnn2)C1 ZINC001130148178 1201515008 /nfs/dbraw/zinc/51/50/08/1201515008.db2.gz JENQMYPABWECFD-CVEARBPZSA-N 1 1 360.418 0.709 20 30 FCEDMO C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)[C@@H](n2ccnn2)C1 ZINC001130151024 1201516337 /nfs/dbraw/zinc/51/63/37/1201516337.db2.gz GGIZYQFVSUTQCD-SJORKVTESA-N 1 1 371.445 0.511 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCOCC2)n1 ZINC001130175602 1201522268 /nfs/dbraw/zinc/52/22/68/1201522268.db2.gz QNJNUNNYOWDNCC-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCOCC2)n[nH]1 ZINC001130175602 1201522274 /nfs/dbraw/zinc/52/22/74/1201522274.db2.gz QNJNUNNYOWDNCC-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)OCC)[nH]1 ZINC001130190537 1201529359 /nfs/dbraw/zinc/52/93/59/1201529359.db2.gz DXSIJQMTNJDCPY-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCOC2)n1 ZINC001130192952 1201529940 /nfs/dbraw/zinc/52/99/40/1201529940.db2.gz CBIOEDCQYYWJNL-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCOC2)n[nH]1 ZINC001130192952 1201529944 /nfs/dbraw/zinc/52/99/44/1201529944.db2.gz CBIOEDCQYYWJNL-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCCOC2)n1 ZINC001130192951 1201530199 /nfs/dbraw/zinc/53/01/99/1201530199.db2.gz CBIOEDCQYYWJNL-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CCCOC2)n[nH]1 ZINC001130192951 1201530205 /nfs/dbraw/zinc/53/02/05/1201530205.db2.gz CBIOEDCQYYWJNL-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cnn(C)c2)n1 ZINC001130193153 1201530817 /nfs/dbraw/zinc/53/08/17/1201530817.db2.gz KPCCBWLQDTZAAZ-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cnn(C)c2)n[nH]1 ZINC001130193153 1201530823 /nfs/dbraw/zinc/53/08/23/1201530823.db2.gz KPCCBWLQDTZAAZ-KBPBESRZSA-N 1 1 359.434 0.045 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnccc2C)n1 ZINC001130195816 1201532030 /nfs/dbraw/zinc/53/20/30/1201532030.db2.gz DPZIFJIZQOPNSD-HOCLYGCPSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnccc2C)n[nH]1 ZINC001130195816 1201532031 /nfs/dbraw/zinc/53/20/31/1201532031.db2.gz DPZIFJIZQOPNSD-HOCLYGCPSA-N 1 1 368.441 0.924 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H]2CCOC2)n1 ZINC001130198322 1201533855 /nfs/dbraw/zinc/53/38/55/1201533855.db2.gz GFLQTRMLZYHWEJ-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H]2CCOC2)n[nH]1 ZINC001130198322 1201533859 /nfs/dbraw/zinc/53/38/59/1201533859.db2.gz GFLQTRMLZYHWEJ-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CCOC2)n1 ZINC001130198683 1201534376 /nfs/dbraw/zinc/53/43/76/1201534376.db2.gz VMGNXUBOVWQWBZ-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CCOC2)n[nH]1 ZINC001130198683 1201534378 /nfs/dbraw/zinc/53/43/78/1201534378.db2.gz VMGNXUBOVWQWBZ-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)n2C)n1 ZINC001130183256 1201536056 /nfs/dbraw/zinc/53/60/56/1201536056.db2.gz YWUHMNHRDQSQNW-HOCLYGCPSA-N 1 1 370.457 0.867 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)n2C)n[nH]1 ZINC001130183256 1201536058 /nfs/dbraw/zinc/53/60/58/1201536058.db2.gz YWUHMNHRDQSQNW-HOCLYGCPSA-N 1 1 370.457 0.867 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)noc2C)[nH]1 ZINC001130183151 1201536614 /nfs/dbraw/zinc/53/66/14/1201536614.db2.gz SGPUKVALBNZZBF-STQMWFEESA-N 1 1 358.402 0.435 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccn2)[nH]1 ZINC001130184879 1201539039 /nfs/dbraw/zinc/53/90/39/1201539039.db2.gz LFOYZJKDCSPLFL-KKUMJFAQSA-N 1 1 371.445 0.364 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(CC)n2)[nH]1 ZINC001130204677 1201539278 /nfs/dbraw/zinc/53/92/78/1201539278.db2.gz DBQZNHBTMVZELC-AAEUAGOBSA-N 1 1 358.402 0.380 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2=CCOCC2)n1 ZINC001130204751 1201539319 /nfs/dbraw/zinc/53/93/19/1201539319.db2.gz IZWYXIZLKXVCLM-GJZGRUSLSA-N 1 1 361.446 0.806 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2=CCOCC2)n[nH]1 ZINC001130204751 1201539325 /nfs/dbraw/zinc/53/93/25/1201539325.db2.gz IZWYXIZLKXVCLM-GJZGRUSLSA-N 1 1 361.446 0.806 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCCC)[nH]1 ZINC001130203346 1201539916 /nfs/dbraw/zinc/53/99/16/1201539916.db2.gz YZHIFAHHMLHRRJ-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130207761 1201542125 /nfs/dbraw/zinc/54/21/25/1201542125.db2.gz ORIAEDTYRZMKSE-IHRRRGAJSA-N 1 1 367.425 0.281 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130207761 1201542128 /nfs/dbraw/zinc/54/21/28/1201542128.db2.gz ORIAEDTYRZMKSE-IHRRRGAJSA-N 1 1 367.425 0.281 20 30 FCEDMO COC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)C)n1 ZINC001130209483 1201542823 /nfs/dbraw/zinc/54/28/23/1201542823.db2.gz CHCUWRMSGLDJHN-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO COC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)C)n[nH]1 ZINC001130209483 1201542827 /nfs/dbraw/zinc/54/28/27/1201542827.db2.gz CHCUWRMSGLDJHN-ILXRZTDVSA-N 1 1 363.462 0.577 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]cc2C)n1 ZINC001130209940 1201544212 /nfs/dbraw/zinc/54/42/12/1201544212.db2.gz RKABGJOPBKGVHQ-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]cc2C)n[nH]1 ZINC001130209940 1201544218 /nfs/dbraw/zinc/54/42/18/1201544218.db2.gz RKABGJOPBKGVHQ-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cn3c(n2)CCC3)n1 ZINC001130212794 1201545027 /nfs/dbraw/zinc/54/50/27/1201545027.db2.gz DEIGTISYYVDFFH-JSGCOSHPSA-N 1 1 371.445 0.526 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cn3c(n2)CCC3)n[nH]1 ZINC001130212794 1201545030 /nfs/dbraw/zinc/54/50/30/1201545030.db2.gz DEIGTISYYVDFFH-JSGCOSHPSA-N 1 1 371.445 0.526 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)ncn2C)[nH]1 ZINC001130215976 1201547159 /nfs/dbraw/zinc/54/71/59/1201547159.db2.gz LBEPVJVBAWTKMW-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCOC)CC2)[nH]1 ZINC001130216334 1201547172 /nfs/dbraw/zinc/54/71/72/1201547172.db2.gz UADXSSMYKAVOHR-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc3occc3[nH]2)[nH]1 ZINC001130215978 1201547203 /nfs/dbraw/zinc/54/72/03/1201547203.db2.gz LDVHSRIKWFJKQP-NHYWBVRUSA-N 1 1 368.397 0.904 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)n2cccc2)n1 ZINC001130200320 1201547780 /nfs/dbraw/zinc/54/77/80/1201547780.db2.gz HYPSRYIVKNTJNO-PMPSAXMXSA-N 1 1 370.457 0.969 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)n2cccc2)n[nH]1 ZINC001130200320 1201547782 /nfs/dbraw/zinc/54/77/82/1201547782.db2.gz HYPSRYIVKNTJNO-PMPSAXMXSA-N 1 1 370.457 0.969 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)[nH]1 ZINC001130239958 1201549329 /nfs/dbraw/zinc/54/93/29/1201549329.db2.gz FHDCZIRIGOFOJF-NHIYQJMISA-N 1 1 369.425 0.913 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2onc(C)c2C)[nH]1 ZINC001130221067 1201550969 /nfs/dbraw/zinc/55/09/69/1201550969.db2.gz SAJUTBZWBQKSOV-STQMWFEESA-N 1 1 358.402 0.435 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncn2C)n1 ZINC001130223138 1201551710 /nfs/dbraw/zinc/55/17/10/1201551710.db2.gz NWVUMJBRMUPKRY-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncn2C)n[nH]1 ZINC001130223138 1201551716 /nfs/dbraw/zinc/55/17/16/1201551716.db2.gz NWVUMJBRMUPKRY-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)COC)[nH]1 ZINC001130224879 1201554476 /nfs/dbraw/zinc/55/44/76/1201554476.db2.gz GYKGQJAOAVYURH-KBPBESRZSA-N 1 1 363.462 0.579 20 30 FCEDMO CC[C@@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1 ZINC001130230514 1201557255 /nfs/dbraw/zinc/55/72/55/1201557255.db2.gz YFEQXYWNLXFPRQ-MJBXVCDLSA-N 1 1 367.425 0.281 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(F)CCOC2)[nH]1 ZINC001130234670 1201557940 /nfs/dbraw/zinc/55/79/40/1201557940.db2.gz HFHYBIUEJDHHGW-GDZNZVCISA-N 1 1 365.409 0.035 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(F)CCOC2)n1 ZINC001130235133 1201559605 /nfs/dbraw/zinc/55/96/05/1201559605.db2.gz UVABQFSKYSZFQY-GDZNZVCISA-N 1 1 367.425 0.588 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(F)CCOC2)n[nH]1 ZINC001130235133 1201559608 /nfs/dbraw/zinc/55/96/08/1201559608.db2.gz UVABQFSKYSZFQY-GDZNZVCISA-N 1 1 367.425 0.588 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)[nH]1 ZINC001130242333 1201562868 /nfs/dbraw/zinc/56/28/68/1201562868.db2.gz RNKNHWLRZWFULT-JKQORVJESA-N 1 1 373.457 0.497 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C(C)C)n2)[nH]1 ZINC001130242188 1201562926 /nfs/dbraw/zinc/56/29/26/1201562926.db2.gz LCDBPGOGWMIWIQ-ZFWWWQNUSA-N 1 1 371.445 0.607 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C(C)C)n2)n[nH]1 ZINC001130242188 1201562930 /nfs/dbraw/zinc/56/29/30/1201562930.db2.gz LCDBPGOGWMIWIQ-ZFWWWQNUSA-N 1 1 371.445 0.607 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(CC)n2)n1 ZINC001130242492 1201563560 /nfs/dbraw/zinc/56/35/60/1201563560.db2.gz ZTKBUFIPLXNZHA-JSGCOSHPSA-N 1 1 359.434 0.599 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(CC)n2)n[nH]1 ZINC001130242492 1201563567 /nfs/dbraw/zinc/56/35/67/1201563567.db2.gz ZTKBUFIPLXNZHA-JSGCOSHPSA-N 1 1 359.434 0.599 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)n[nH]c2C)[nH]1 ZINC001130245264 1201565516 /nfs/dbraw/zinc/56/55/16/1201565516.db2.gz YKUPMCVXNHDUIT-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H](C)COC)n1 ZINC001130246649 1201566507 /nfs/dbraw/zinc/56/65/07/1201566507.db2.gz LLIPUOZCJOKMFO-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H](C)COC)n[nH]1 ZINC001130246649 1201566513 /nfs/dbraw/zinc/56/65/13/1201566513.db2.gz LLIPUOZCJOKMFO-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(OC)n2)[nH]1 ZINC001130247097 1201567122 /nfs/dbraw/zinc/56/71/22/1201567122.db2.gz UUAMVPSEZDCWBL-JSGCOSHPSA-N 1 1 370.413 0.234 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(OC)n2)n[nH]1 ZINC001130247097 1201567126 /nfs/dbraw/zinc/56/71/26/1201567126.db2.gz UUAMVPSEZDCWBL-JSGCOSHPSA-N 1 1 370.413 0.234 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2nonc2C)n1 ZINC001130247222 1201567426 /nfs/dbraw/zinc/56/74/26/1201567426.db2.gz ZAYWZWUDXXOEBD-AAEUAGOBSA-N 1 1 361.406 0.003 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2nonc2C)n[nH]1 ZINC001130247222 1201567431 /nfs/dbraw/zinc/56/74/31/1201567431.db2.gz ZAYWZWUDXXOEBD-AAEUAGOBSA-N 1 1 361.406 0.003 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncnc2CC)[nH]1 ZINC001130249180 1201569488 /nfs/dbraw/zinc/56/94/88/1201569488.db2.gz NSVJWNSBXUYNLD-WFASDCNBSA-N 1 1 369.429 0.182 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2CC)n[nH]1 ZINC001130249180 1201569493 /nfs/dbraw/zinc/56/94/93/1201569493.db2.gz NSVJWNSBXUYNLD-WFASDCNBSA-N 1 1 369.429 0.182 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2[nH]cnc2C)n1 ZINC001130249119 1201569533 /nfs/dbraw/zinc/56/95/33/1201569533.db2.gz KQGGNLSQMDHFEH-JSGCOSHPSA-N 1 1 359.434 0.343 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nonc2C)n1 ZINC001130251501 1201570101 /nfs/dbraw/zinc/57/01/01/1201570101.db2.gz YFDZZVWEXMOGAZ-RYUDHWBXSA-N 1 1 361.406 0.464 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nonc2C)n[nH]1 ZINC001130251501 1201570106 /nfs/dbraw/zinc/57/01/06/1201570106.db2.gz YFDZZVWEXMOGAZ-RYUDHWBXSA-N 1 1 361.406 0.464 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)CCOC)n1 ZINC001130251306 1201570470 /nfs/dbraw/zinc/57/04/70/1201570470.db2.gz MNMODTZOXUOROQ-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)CCOC)n[nH]1 ZINC001130251306 1201570472 /nfs/dbraw/zinc/57/04/72/1201570472.db2.gz MNMODTZOXUOROQ-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]cnc2C)n1 ZINC001130253965 1201571213 /nfs/dbraw/zinc/57/12/13/1201571213.db2.gz YOZUCSFMELXPHN-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]cnc2C)n[nH]1 ZINC001130253965 1201571217 /nfs/dbraw/zinc/57/12/17/1201571217.db2.gz YOZUCSFMELXPHN-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=CC[C@H](NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccncc1 ZINC000805808080 1201587903 /nfs/dbraw/zinc/58/79/03/1201587903.db2.gz BUMZCFYYQPYOCG-SFHVURJKSA-N 1 1 373.501 0.911 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001219944112 1224693501 /nfs/dbraw/zinc/69/35/01/1224693501.db2.gz PLVPMJFETZIUNG-MSOLQXFVSA-N 1 1 356.426 0.850 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001219944112 1224693503 /nfs/dbraw/zinc/69/35/03/1224693503.db2.gz PLVPMJFETZIUNG-MSOLQXFVSA-N 1 1 356.426 0.850 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001219951437 1224697507 /nfs/dbraw/zinc/69/75/07/1224697507.db2.gz KFVAJYRTJXLTHH-DFBGVHRSSA-N 1 1 360.414 0.542 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)c2)[C@@H](O)C1 ZINC001219966933 1224706026 /nfs/dbraw/zinc/70/60/26/1224706026.db2.gz CKZWDHJAZKLGDN-MSOLQXFVSA-N 1 1 356.426 0.850 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3ccccc3)c2)[C@@H](O)C1 ZINC001219966933 1224706031 /nfs/dbraw/zinc/70/60/31/1224706031.db2.gz CKZWDHJAZKLGDN-MSOLQXFVSA-N 1 1 356.426 0.850 20 30 FCEDMO Cc1cnc(COCC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)o1 ZINC001219986218 1224715573 /nfs/dbraw/zinc/71/55/73/1224715573.db2.gz OIEYQZRCNKGFCU-SJORKVTESA-N 1 1 370.409 0.733 20 30 FCEDMO Cc1cnc(COCC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)o1 ZINC001219986218 1224715580 /nfs/dbraw/zinc/71/55/80/1224715580.db2.gz OIEYQZRCNKGFCU-SJORKVTESA-N 1 1 370.409 0.733 20 30 FCEDMO C=C[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCCCC(=O)OCC)C2)C1 ZINC001276810162 1224739191 /nfs/dbraw/zinc/73/91/91/1224739191.db2.gz QKSNKESCLUGMQM-QFBILLFUSA-N 1 1 368.474 0.818 20 30 FCEDMO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090486557 1202710723 /nfs/dbraw/zinc/71/07/23/1202710723.db2.gz MFQBWSCKPRZUPD-BZUAXINKSA-N 1 1 361.446 0.230 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001130583654 1202722914 /nfs/dbraw/zinc/72/29/14/1202722914.db2.gz LBOLOEOUHGRQQR-OFQRWUPVSA-N 1 1 370.461 0.248 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130592929 1202726504 /nfs/dbraw/zinc/72/65/04/1202726504.db2.gz LRYOZWHFHDHJKU-JLJPHGGASA-N 1 1 357.414 0.531 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130593220 1202727267 /nfs/dbraw/zinc/72/72/67/1202727267.db2.gz WCBUVHXGRMHPPT-QILLFSRXSA-N 1 1 370.457 0.276 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130635361 1202740271 /nfs/dbraw/zinc/74/02/71/1202740271.db2.gz WSFNLHMAYHRWMU-FUHWJXTLSA-N 1 1 369.473 0.859 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130664348 1202747562 /nfs/dbraw/zinc/74/75/62/1202747562.db2.gz PAEPPIJUWURCSP-GOEBONIOSA-N 1 1 357.462 0.989 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(F)c3)n[nH]2)O1 ZINC001130762173 1202779138 /nfs/dbraw/zinc/77/91/38/1202779138.db2.gz NQABJGHPISFDIF-QWHCGFSZSA-N 1 1 358.377 0.712 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3)n[nH]2)O1 ZINC001130756723 1202779855 /nfs/dbraw/zinc/77/98/55/1202779855.db2.gz XFRSJAAYOIRVJI-UONOGXRCSA-N 1 1 357.418 0.301 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=COCCC3)n[nH]2)O1 ZINC001130767462 1202785323 /nfs/dbraw/zinc/78/53/23/1202785323.db2.gz JOECHLOQCHDPEB-LSDHHAIUSA-N 1 1 359.430 0.948 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncc(C)c3)n[nH]2)O1 ZINC001130772340 1202787140 /nfs/dbraw/zinc/78/71/40/1202787140.db2.gz IJDIUNOYCHRUKB-LSDHHAIUSA-N 1 1 354.414 0.881 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)cn3)n[nH]2)O1 ZINC001130772742 1202788118 /nfs/dbraw/zinc/78/81/18/1202788118.db2.gz ZLFVRJDRHPUBCP-GXTWGEPZSA-N 1 1 359.434 0.854 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)n1 ZINC001130785289 1202788572 /nfs/dbraw/zinc/78/85/72/1202788572.db2.gz JXIDAFNLFIYDDS-QLFBSQMISA-N 1 1 363.462 0.925 20 30 FCEDMO COC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785481 1202789243 /nfs/dbraw/zinc/78/92/43/1202789243.db2.gz PKYCCLTXJNTOJW-VHDGCEQUSA-N 1 1 361.446 0.679 20 30 FCEDMO N#Cc1cc(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)c[nH]1 ZINC001130776988 1202790665 /nfs/dbraw/zinc/79/06/65/1202790665.db2.gz PVZIOTLFGHPJCU-QWHCGFSZSA-N 1 1 361.381 0.714 20 30 FCEDMO CO[C@H](C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)C)n[nH]2)O1 ZINC001130781055 1202792818 /nfs/dbraw/zinc/79/28/18/1202792818.db2.gz MWDKVIASFJIPIL-QLFBSQMISA-N 1 1 363.462 0.925 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncn(C)n3)n[nH]2)O1 ZINC001130783432 1202794711 /nfs/dbraw/zinc/79/47/11/1202794711.db2.gz XQOKNFOVNYTVKR-NWDGAFQWSA-N 1 1 360.422 0.249 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)n[nH]2)O1 ZINC001130794013 1202795183 /nfs/dbraw/zinc/79/51/83/1202795183.db2.gz HTMOJOGAIODJFC-NBFUAULTSA-N 1 1 373.457 0.679 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(COC)CCC3)n[nH]2)O1 ZINC001130794186 1202795456 /nfs/dbraw/zinc/79/54/56/1202795456.db2.gz PHRYAVRILAIFGK-UONOGXRCSA-N 1 1 361.446 0.681 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cnn3C)n[nH]2)O1 ZINC001130796040 1202795646 /nfs/dbraw/zinc/79/56/46/1202795646.db2.gz GCZLRLDKMSFUNV-UONOGXRCSA-N 1 1 371.445 0.610 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)n[nH]2)O1 ZINC001130796080 1202796252 /nfs/dbraw/zinc/79/62/52/1202796252.db2.gz HKWLLQQZCZQFAE-ZHMBSYLPSA-N 1 1 361.446 0.699 20 30 FCEDMO C[N@@H+](CC(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1)C1CCC1 ZINC001130789958 1202797938 /nfs/dbraw/zinc/79/79/38/1202797938.db2.gz AAVCICGBTPPQRC-UONOGXRCSA-N 1 1 361.450 0.238 20 30 FCEDMO 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DQHIJJUTLVVOBZ-HBNTYKKESA-N 1 1 364.368 0.763 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C(F)(F)F ZINC001112150940 846419954 /nfs/dbraw/zinc/41/99/54/846419954.db2.gz SJUXHORJTARYCM-MBJXGIAVSA-N 1 1 357.376 0.761 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001112156750 846423373 /nfs/dbraw/zinc/42/33/73/846423373.db2.gz CHXRBNNPPQZJOG-NXEZZACHSA-N 1 1 350.341 0.517 20 30 FCEDMO Cc1nocc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112158032 846424706 /nfs/dbraw/zinc/42/47/06/846424706.db2.gz PULTXSDVGCXZNY-GHMZBOCLSA-N 1 1 359.308 0.215 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C(F)(F)F ZINC001112163204 846427768 /nfs/dbraw/zinc/42/77/68/846427768.db2.gz NNMBFSLTGKEOJN-QJPTWQEYSA-N 1 1 363.355 0.853 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1C(F)(F)F ZINC001112167867 846431982 /nfs/dbraw/zinc/43/19/82/846431982.db2.gz JVUKKSKKISALGK-CHWSQXEVSA-N 1 1 361.368 0.919 20 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C=C(C)CN1C[C@H](C(=O)OCC)C2(CC[NH+](CC(=O)NC)CC2)C1=O ZINC001276982009 861721002 /nfs/dbraw/zinc/72/10/02/861721002.db2.gz JMIREHGPHAXCAB-CQSZACIVSA-N 1 1 351.447 0.412 20 30 FCEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001118212382 847325748 /nfs/dbraw/zinc/32/57/48/847325748.db2.gz QBPSVHOGNMGZCL-KSSFIOAISA-N 1 1 350.463 0.490 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001121580373 848372074 /nfs/dbraw/zinc/37/20/74/848372074.db2.gz ADBNNWCVWZFOTL-KBPBESRZSA-N 1 1 368.507 0.749 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001121580373 848372083 /nfs/dbraw/zinc/37/20/83/848372083.db2.gz ADBNNWCVWZFOTL-KBPBESRZSA-N 1 1 368.507 0.749 20 30 FCEDMO C=CCn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001121607003 848375459 /nfs/dbraw/zinc/37/54/59/848375459.db2.gz HIQZRLQHPUJLAG-AWEZNQCLSA-N 1 1 350.423 0.584 20 30 FCEDMO C=CCn1c([C@H](O)COC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001121636998 848377033 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FCEDMO N#CCSCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128724122 848759825 /nfs/dbraw/zinc/75/98/25/848759825.db2.gz QTXJDCXVNQDWRR-KFWWJZLASA-N 1 1 364.475 0.303 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001128784267 848769958 /nfs/dbraw/zinc/76/99/58/848769958.db2.gz AKZIIVWVPURUOD-XHSDSOJGSA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1n1ccnn1 ZINC001128785736 848770007 /nfs/dbraw/zinc/77/00/07/848770007.db2.gz RHRNUUUFRIUDEI-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC)C[C@@H]1n1ccnn1 ZINC001128785736 848770016 /nfs/dbraw/zinc/77/00/16/848770016.db2.gz RHRNUUUFRIUDEI-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@@H](n2ccnn2)C1 ZINC001128993688 848793960 /nfs/dbraw/zinc/79/39/60/848793960.db2.gz MATARPAYWDNRGL-OLZOCXBDSA-N 1 1 355.389 0.868 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@@H](n2ccnn2)C1 ZINC001128993688 848793968 /nfs/dbraw/zinc/79/39/68/848793968.db2.gz MATARPAYWDNRGL-OLZOCXBDSA-N 1 1 355.389 0.868 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccns2)[C@@H](n2ccnn2)C1 ZINC001129837290 848902386 /nfs/dbraw/zinc/90/23/86/848902386.db2.gz AIUSYEFYHKDCNH-CABCVRRESA-N 1 1 360.443 0.316 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001129876328 848905797 /nfs/dbraw/zinc/90/57/97/848905797.db2.gz LTPFZLKFXKORIR-KGLIPLIRSA-N 1 1 368.869 0.487 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]1n1ccnn1 ZINC001130037933 848934308 /nfs/dbraw/zinc/93/43/08/848934308.db2.gz CRYFMVMQMAWDFJ-KGLIPLIRSA-N 1 1 368.869 0.534 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1n1ccnn1 ZINC001130075366 848939618 /nfs/dbraw/zinc/93/96/18/848939618.db2.gz UTSKPSIWLQUBDK-KGLIPLIRSA-N 1 1 364.841 0.444 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnns2)n1 ZINC001130187738 848966178 /nfs/dbraw/zinc/96/61/78/848966178.db2.gz GYWJPBFPFCULJZ-QWRGUYRKSA-N 1 1 361.431 0.072 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnns2)n[nH]1 ZINC001130187738 848966181 /nfs/dbraw/zinc/96/61/81/848966181.db2.gz GYWJPBFPFCULJZ-QWRGUYRKSA-N 1 1 361.431 0.072 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CSCC#N)n1 ZINC001130190764 848968927 /nfs/dbraw/zinc/96/89/27/848968927.db2.gz NCPIGOHWKSYXGD-STQMWFEESA-N 1 1 364.475 0.716 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CSCC#N)n[nH]1 ZINC001130190764 848968929 /nfs/dbraw/zinc/96/89/29/848968929.db2.gz NCPIGOHWKSYXGD-STQMWFEESA-N 1 1 364.475 0.716 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)COC)n1 ZINC001130202799 848973553 /nfs/dbraw/zinc/97/35/53/848973553.db2.gz KXUARBQNMBELCT-RDBSUJKOSA-N 1 1 351.451 0.742 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)COC)n[nH]1 ZINC001130202799 848973555 /nfs/dbraw/zinc/97/35/55/848973555.db2.gz KXUARBQNMBELCT-RDBSUJKOSA-N 1 1 351.451 0.742 20 30 FCEDMO C=C(Cl)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCO)n[nH]1 ZINC001130215724 848977475 /nfs/dbraw/zinc/97/74/75/848977475.db2.gz CZXVAFAAUTUKMS-RYUDHWBXSA-N 1 1 371.869 0.654 20 30 FCEDMO C=C(Cl)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCO)n1 ZINC001130215724 848977479 /nfs/dbraw/zinc/97/74/79/848977479.db2.gz CZXVAFAAUTUKMS-RYUDHWBXSA-N 1 1 371.869 0.654 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](F)C(C)C)[nH]1 ZINC001130228007 848981714 /nfs/dbraw/zinc/98/17/14/848981714.db2.gz ZNDWIMUAZRVXLZ-KCQAQPDRSA-N 1 1 351.426 0.900 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(F)F)n1 ZINC001130232649 848982117 /nfs/dbraw/zinc/98/21/17/848982117.db2.gz MQDRPBZGXJHTKF-RYUDHWBXSA-N 1 1 355.389 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(F)F)n[nH]1 ZINC001130232649 848982125 /nfs/dbraw/zinc/98/21/25/848982125.db2.gz MQDRPBZGXJHTKF-RYUDHWBXSA-N 1 1 355.389 0.952 20 30 FCEDMO C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C(C)C)n[nH]1 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491977295 /nfs/dbraw/zinc/97/72/95/491977295.db2.gz GDGTUYOPWWABPA-CVEARBPZSA-N 1 1 372.425 0.563 20 30 FCEDMO CN(CCC#N)C(=O)CC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602879538 492002478 /nfs/dbraw/zinc/00/24/78/492002478.db2.gz AYQLEWJNMJMBLA-INIZCTEOSA-N 1 1 354.520 0.888 20 30 FCEDMO N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000597258954 492025027 /nfs/dbraw/zinc/02/50/27/492025027.db2.gz UUIAQYMUUDDCCO-GOSISDBHSA-N 1 1 369.469 0.481 20 30 FCEDMO N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000597258954 492025028 /nfs/dbraw/zinc/02/50/28/492025028.db2.gz UUIAQYMUUDDCCO-GOSISDBHSA-N 1 1 369.469 0.481 20 30 FCEDMO C=CCOCC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614864496 492061430 /nfs/dbraw/zinc/06/14/30/492061430.db2.gz CYAFMKUOPRTPJA-UHFFFAOYSA-N 1 1 359.426 0.875 20 30 FCEDMO C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CC[NH+](C)CC1 ZINC000604561632 492063385 /nfs/dbraw/zinc/06/33/85/492063385.db2.gz GJZSNIHGWGTTNA-CQSZACIVSA-N 1 1 372.473 0.708 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000614919990 492063666 /nfs/dbraw/zinc/06/36/66/492063666.db2.gz AEPRBMWZCPVCAJ-QGZVFWFLSA-N 1 1 365.522 0.067 20 30 FCEDMO N#CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000597912023 492072682 /nfs/dbraw/zinc/07/26/82/492072682.db2.gz FGTYZFRHICECNF-DLBZAZTESA-N 1 1 362.474 0.852 20 30 FCEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2)CC1 ZINC000615165665 492076459 /nfs/dbraw/zinc/07/64/59/492076459.db2.gz CXPBVTFEUPPPHR-CQSZACIVSA-N 1 1 371.441 0.821 20 30 FCEDMO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000615315313 492085733 /nfs/dbraw/zinc/08/57/33/492085733.db2.gz KVGWHRQDQBOZRC-KRWDZBQOSA-N 1 1 371.441 0.019 20 30 FCEDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000598342206 492095544 /nfs/dbraw/zinc/09/55/44/492095544.db2.gz KGUZJGXNNNOZPD-UKRRQHHQSA-N 1 1 364.471 0.826 20 30 FCEDMO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 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/nfs/dbraw/zinc/25/19/26/492251926.db2.gz DWVHANWAWKQPGN-IBGZPJMESA-N 1 1 372.469 0.680 20 30 FCEDMO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000610585825 492253175 /nfs/dbraw/zinc/25/31/75/492253175.db2.gz ICECCBQOKULIJQ-QZTJIDSGSA-N 1 1 363.458 0.117 20 30 FCEDMO C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000610899911 492267679 /nfs/dbraw/zinc/26/76/79/492267679.db2.gz WUGIWLBWVVSCDS-OFQRWUPVSA-N 1 1 373.461 0.287 20 30 FCEDMO C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000610899911 492267681 /nfs/dbraw/zinc/26/76/81/492267681.db2.gz WUGIWLBWVVSCDS-OFQRWUPVSA-N 1 1 373.461 0.287 20 30 FCEDMO C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000610906446 492268227 /nfs/dbraw/zinc/26/82/27/492268227.db2.gz GWQLLTAHADCNIX-HZMBPMFUSA-N 1 1 350.806 0.985 20 30 FCEDMO C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906446 492268229 /nfs/dbraw/zinc/26/82/29/492268229.db2.gz 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NKAWSYGSAXLTEQ-ZNMIVQPWSA-N 1 1 351.447 0.553 20 30 FCEDMO C=CCS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819222070 668989207 /nfs/dbraw/zinc/98/92/07/668989207.db2.gz MDBFDEWTJOFZSO-UHFFFAOYSA-N 1 1 362.429 0.559 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000807902831 669523616 /nfs/dbraw/zinc/52/36/16/669523616.db2.gz LKOXIHCVMFHHAB-HOCLYGCPSA-N 1 1 353.488 0.404 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000807902831 669523617 /nfs/dbraw/zinc/52/36/17/669523617.db2.gz LKOXIHCVMFHHAB-HOCLYGCPSA-N 1 1 353.488 0.404 20 30 FCEDMO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000830302091 669773203 /nfs/dbraw/zinc/77/32/03/669773203.db2.gz HCHMCVFKAHVIBB-JKSUJKDBSA-N 1 1 353.419 0.980 20 30 FCEDMO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830444998 669784334 /nfs/dbraw/zinc/78/43/34/669784334.db2.gz DSYSSNOFDZLUDY-SUMWQHHRSA-N 1 1 354.451 0.612 20 30 FCEDMO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830444998 669784340 /nfs/dbraw/zinc/78/43/40/669784340.db2.gz DSYSSNOFDZLUDY-SUMWQHHRSA-N 1 1 354.451 0.612 20 30 FCEDMO C#CC[N@H+](C)CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 ZINC000814929450 669894316 /nfs/dbraw/zinc/89/43/16/669894316.db2.gz KJFOONWUBKFWFT-UHFFFAOYSA-N 1 1 365.503 0.385 20 30 FCEDMO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000815082341 669898854 /nfs/dbraw/zinc/89/88/54/669898854.db2.gz LNGYJYGQZJVPHF-UHFFFAOYSA-N 1 1 354.428 0.715 20 30 FCEDMO C#CCN(CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000832489851 669906349 /nfs/dbraw/zinc/90/63/49/669906349.db2.gz DXEMPKCNAFIGND-GJZGRUSLSA-N 1 1 353.463 0.770 20 30 FCEDMO COCCN(CC#N)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000837235375 670090261 /nfs/dbraw/zinc/09/02/61/670090261.db2.gz QIHIVZMIAYPBRY-UHFFFAOYSA-N 1 1 354.451 0.928 20 30 FCEDMO C#CC[N@@H+](C)CCCNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867310707 670755262 /nfs/dbraw/zinc/75/52/62/670755262.db2.gz ANVNNJBSBVWXGX-UHFFFAOYSA-N 1 1 359.492 0.728 20 30 FCEDMO CCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CC[N@@H+](C)C1 ZINC000843987258 670874917 /nfs/dbraw/zinc/87/49/17/670874917.db2.gz CAVGXBQEJRZJTG-ZDUSSCGKSA-N 1 1 364.471 0.668 20 30 FCEDMO C[C@@H]1[C@H](C)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C[N@H+]1C ZINC000844640955 670931594 /nfs/dbraw/zinc/93/15/94/670931594.db2.gz LXHBMVDCLOAJFH-XQQFMLRXSA-N 1 1 364.471 0.665 20 30 FCEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1O ZINC001048912681 675907167 /nfs/dbraw/zinc/90/71/67/675907167.db2.gz LSNYSMOJSKHJCM-WCVJEAGWSA-N 1 1 351.491 0.959 20 30 FCEDMO C#CCCN(CCOC)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000853635415 671552378 /nfs/dbraw/zinc/55/23/78/671552378.db2.gz MOPBDYZFYHRLHC-MRXNPFEDSA-N 1 1 352.479 0.610 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCS(C)(=O)=O ZINC001049733919 675975286 /nfs/dbraw/zinc/97/52/86/675975286.db2.gz CLYBNZPEEPAMPH-FPCVCCKLSA-N 1 1 356.488 0.687 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCS(C)(=O)=O ZINC001049733919 675975288 /nfs/dbraw/zinc/97/52/88/675975288.db2.gz CLYBNZPEEPAMPH-FPCVCCKLSA-N 1 1 356.488 0.687 20 30 FCEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N=S(C)(C)=O ZINC000866503056 672278996 /nfs/dbraw/zinc/27/89/96/672278996.db2.gz ORMHVAGCDMJNHW-UHFFFAOYSA-N 1 1 358.489 0.894 20 30 FCEDMO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575915 676024987 /nfs/dbraw/zinc/02/49/87/676024987.db2.gz PHQWMBGARMXSHW-ZIAGYGMSSA-N 1 1 352.435 0.561 20 30 FCEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000875598340 672896799 /nfs/dbraw/zinc/89/67/99/672896799.db2.gz WELNSQWFBBYQLE-HNNXBMFYSA-N 1 1 353.463 0.100 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCS(C)(=O)=O)CC2 ZINC001050670766 676088217 /nfs/dbraw/zinc/08/82/17/676088217.db2.gz SKVBVZJARONFQP-CABCVRRESA-N 1 1 356.488 0.547 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nonc2C)C1 ZINC001051867628 676112935 /nfs/dbraw/zinc/11/29/35/676112935.db2.gz MJJZMZAQKLBHDV-YCPHGPKFSA-N 1 1 350.419 0.676 20 30 FCEDMO C=C[C@](C)(O)c1cn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000881098293 673216868 /nfs/dbraw/zinc/21/68/68/673216868.db2.gz NFXHBJJPXGFPCN-PBHICJAKSA-N 1 1 351.451 0.145 20 30 FCEDMO C#CCC1(O)CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000883432921 673375273 /nfs/dbraw/zinc/37/52/73/673375273.db2.gz DOQUPKYXWVEODU-HNNXBMFYSA-N 1 1 350.463 0.134 20 30 FCEDMO C#CC[C@@H](COC)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883747622 673393757 /nfs/dbraw/zinc/39/37/57/673393757.db2.gz NOPVXZBKSUUDAF-IRXDYDNUSA-N 1 1 352.479 0.121 20 30 FCEDMO C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412524 673452072 /nfs/dbraw/zinc/45/20/72/673452072.db2.gz SQGKMEJIFJPMEQ-CVEARBPZSA-N 1 1 352.479 0.060 20 30 FCEDMO C=CCOC(=O)[C@@H](N)CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412524 673452074 /nfs/dbraw/zinc/45/20/74/673452074.db2.gz SQGKMEJIFJPMEQ-CVEARBPZSA-N 1 1 352.479 0.060 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000889746633 673684021 /nfs/dbraw/zinc/68/40/21/673684021.db2.gz DRPPTPMMFUMBRZ-AWEZNQCLSA-N 1 1 370.519 0.634 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000889746633 673684023 /nfs/dbraw/zinc/68/40/23/673684023.db2.gz DRPPTPMMFUMBRZ-AWEZNQCLSA-N 1 1 370.519 0.634 20 30 FCEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@H]2O)C1 ZINC001041343315 675515458 /nfs/dbraw/zinc/51/54/58/675515458.db2.gz ZJUUIWKDFBCTIF-MVWJERBFSA-N 1 1 369.878 0.676 20 30 FCEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@H]2O)CC[N@H+]1C ZINC001041396283 675519615 /nfs/dbraw/zinc/51/96/15/675519615.db2.gz CKERCMLFIPAEHM-PZTHBURQSA-N 1 1 363.849 0.613 20 30 FCEDMO CO[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001042835206 675549214 /nfs/dbraw/zinc/54/92/14/675549214.db2.gz AVQUPRAALABYRY-MVWJERBFSA-N 1 1 369.878 0.940 20 30 FCEDMO C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046039278 675682343 /nfs/dbraw/zinc/68/23/43/675682343.db2.gz VIHYMTDVVTXKOE-KZNAEPCWSA-N 1 1 350.507 0.500 20 30 FCEDMO C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046039152 675682378 /nfs/dbraw/zinc/68/23/78/675682378.db2.gz SZWMBSINXYPSHT-FGTMMUONSA-N 1 1 350.507 0.500 20 30 FCEDMO C=C[C@@](C)(CCOC)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900613955 675699721 /nfs/dbraw/zinc/69/97/21/675699721.db2.gz BBRMRPFCOLZISK-SFHVURJKSA-N 1 1 352.479 0.727 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3ccn(CC)n3)[C@H]2C)C1=O ZINC001088580001 1192198787 /nfs/dbraw/zinc/19/87/87/1192198787.db2.gz MYQKRQPLMPTMTA-PVAVHDDUSA-N 1 1 359.474 0.811 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3ccn(CC)n3)[C@H]2C)C1=O ZINC001088580001 1192198800 /nfs/dbraw/zinc/19/88/00/1192198800.db2.gz MYQKRQPLMPTMTA-PVAVHDDUSA-N 1 1 359.474 0.811 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2O)nc1 ZINC000969351246 1167894369 /nfs/dbraw/zinc/89/43/69/1167894369.db2.gz MABJOVIYLIHFQY-SQNIBIBYSA-N 1 1 370.453 0.239 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2O)cn1 ZINC000969359210 1167900553 /nfs/dbraw/zinc/90/05/53/1167900553.db2.gz YOTLLECFUQQPQE-MLHJIOFPSA-N 1 1 370.453 0.095 20 30 FCEDMO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001125299255 1167966807 /nfs/dbraw/zinc/96/68/07/1167966807.db2.gz KNCRZHHBUCRAPC-HYVNUMGLSA-N 1 1 359.474 0.857 20 30 FCEDMO Cc1cc(CN=Nc2nccn(C)c2=O)c(C)n1CC[NH+]1CCOCC1 ZINC000748086123 1168147157 /nfs/dbraw/zinc/14/71/57/1168147157.db2.gz XVWGCSJMZQGSCN-UHFFFAOYSA-N 1 1 358.446 0.977 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000970109065 1168354341 /nfs/dbraw/zinc/35/43/41/1168354341.db2.gz FACNCONDROPSOB-LHIBYTEYSA-N 1 1 371.481 0.853 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000970109065 1168354342 /nfs/dbraw/zinc/35/43/42/1168354342.db2.gz FACNCONDROPSOB-LHIBYTEYSA-N 1 1 371.481 0.853 20 30 FCEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2O)CC1 ZINC000970337039 1168797389 /nfs/dbraw/zinc/79/73/89/1168797389.db2.gz YXYWYCVFZZGNAY-IXDOHACOSA-N 1 1 365.474 0.141 20 30 FCEDMO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2O)CC1 ZINC000970337039 1168797399 /nfs/dbraw/zinc/79/73/99/1168797399.db2.gz YXYWYCVFZZGNAY-IXDOHACOSA-N 1 1 365.474 0.141 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1 ZINC001021230179 1168839003 /nfs/dbraw/zinc/83/90/03/1168839003.db2.gz MICGHMGGTKMEHQ-BHYGNILZSA-N 1 1 355.442 0.489 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C1 ZINC001021230179 1168839004 /nfs/dbraw/zinc/83/90/04/1168839004.db2.gz MICGHMGGTKMEHQ-BHYGNILZSA-N 1 1 355.442 0.489 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2O)c1 ZINC000970408548 1168844164 /nfs/dbraw/zinc/84/41/64/1168844164.db2.gz CDPUCDGQMVQCNL-KURKYZTESA-N 1 1 370.453 0.239 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)nc1 ZINC001021235703 1168848356 /nfs/dbraw/zinc/84/83/56/1168848356.db2.gz KVMMDTHJWJAQNW-CGTJXYLNSA-N 1 1 352.438 0.830 20 30 FCEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 ZINC000970649678 1169259235 /nfs/dbraw/zinc/25/92/35/1169259235.db2.gz VPNAKHWABWQTGH-ZRGWGRIASA-N 1 1 365.449 0.300 20 30 FCEDMO C#CC1(F)CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000891167313 1169414720 /nfs/dbraw/zinc/41/47/20/1169414720.db2.gz MIJWPZVMUVYJGS-UHFFFAOYSA-N 1 1 372.400 0.196 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H](O)C1 ZINC000970781576 1169483166 /nfs/dbraw/zinc/48/31/66/1169483166.db2.gz OUIDREUNVISYBO-IKGGRYGDSA-N 1 1 359.470 0.208 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H](O)C1 ZINC000970781576 1169483172 /nfs/dbraw/zinc/48/31/72/1169483172.db2.gz OUIDREUNVISYBO-IKGGRYGDSA-N 1 1 359.470 0.208 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1 ZINC001021579327 1169800614 /nfs/dbraw/zinc/80/06/14/1169800614.db2.gz JFDJRQKGNUVAGT-YESZJQIVSA-N 1 1 359.470 0.448 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CC3(O)CCC3)[C@@H]2C1 ZINC001021579327 1169800615 /nfs/dbraw/zinc/80/06/15/1169800615.db2.gz JFDJRQKGNUVAGT-YESZJQIVSA-N 1 1 359.470 0.448 20 30 FCEDMO C[NH+](C)[C@H](Cn1cccn1)C(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021591433 1169812679 /nfs/dbraw/zinc/81/26/79/1169812679.db2.gz RIPFMOSDNZQCEO-RCCFBDPRSA-N 1 1 369.469 0.286 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)nc1 ZINC001021698795 1169892911 /nfs/dbraw/zinc/89/29/11/1169892911.db2.gz HEGFMDDNZRDDPJ-XYJFISCASA-N 1 1 352.438 0.688 20 30 FCEDMO C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)nn1 ZINC001021703743 1169898704 /nfs/dbraw/zinc/89/87/04/1169898704.db2.gz IDVLLIVNMWWXKC-SQWLQELKSA-N 1 1 358.446 0.089 20 30 FCEDMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083447155 1192394755 /nfs/dbraw/zinc/39/47/55/1192394755.db2.gz DCPDSMKFFKMCRF-CVEARBPZSA-N 1 1 355.398 0.596 20 30 FCEDMO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083447155 1192394760 /nfs/dbraw/zinc/39/47/60/1192394760.db2.gz DCPDSMKFFKMCRF-CVEARBPZSA-N 1 1 355.398 0.596 20 30 FCEDMO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC001021802335 1170077798 /nfs/dbraw/zinc/07/77/98/1170077798.db2.gz ZUVFTVZCXSANPJ-DLTLXFJOSA-N 1 1 355.442 0.899 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 ZINC001021819746 1170115918 /nfs/dbraw/zinc/11/59/18/1170115918.db2.gz ZNOWARRHCXNZES-RYQLBKOJSA-N 1 1 354.454 0.714 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ccc[nH]3)[C@@H]2C1 ZINC001021819746 1170115920 /nfs/dbraw/zinc/11/59/20/1170115920.db2.gz ZNOWARRHCXNZES-RYQLBKOJSA-N 1 1 354.454 0.714 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)c4cnc(C)[nH]4)C[C@H]32)CC1 ZINC001021883827 1170245931 /nfs/dbraw/zinc/24/59/31/1170245931.db2.gz LTIVKQIXLVZTKO-FUHWJXTLSA-N 1 1 369.469 0.736 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc3n2CCC3)[C@@H]1C ZINC000988735620 1192418361 /nfs/dbraw/zinc/41/83/61/1192418361.db2.gz CQUWPTQERRGHPD-PMPSAXMXSA-N 1 1 369.469 0.646 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cnc3n2CCC3)[C@@H]1C ZINC000988735620 1192418364 /nfs/dbraw/zinc/41/83/64/1192418364.db2.gz CQUWPTQERRGHPD-PMPSAXMXSA-N 1 1 369.469 0.646 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ncccn2)[C@@H]1C ZINC000988738012 1192425131 /nfs/dbraw/zinc/42/51/31/1192425131.db2.gz KPGKVTDUNZVPSZ-IKGGRYGDSA-N 1 1 369.469 0.612 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ncccn2)[C@@H]1C ZINC000988738012 1192425135 /nfs/dbraw/zinc/42/51/35/1192425135.db2.gz KPGKVTDUNZVPSZ-IKGGRYGDSA-N 1 1 369.469 0.612 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022213872 1170757764 /nfs/dbraw/zinc/75/77/64/1170757764.db2.gz MPSJQXYTARSHMF-RYQLBKOJSA-N 1 1 369.469 0.120 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001022213872 1170757774 /nfs/dbraw/zinc/75/77/74/1170757774.db2.gz MPSJQXYTARSHMF-RYQLBKOJSA-N 1 1 369.469 0.120 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CNC(N)=O)C2)c(F)c1 ZINC001111586390 1170772317 /nfs/dbraw/zinc/77/23/17/1170772317.db2.gz VCGTUFBQAOIHAN-KSSFIOAISA-N 1 1 359.405 0.836 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)nn2C)[C@@H]1C ZINC000988738741 1192425978 /nfs/dbraw/zinc/42/59/78/1192425978.db2.gz SKCLKBIVYWRLSK-PMPSAXMXSA-N 1 1 357.458 0.545 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)nn2C)[C@@H]1C ZINC000988738741 1192425979 /nfs/dbraw/zinc/42/59/79/1192425979.db2.gz SKCLKBIVYWRLSK-PMPSAXMXSA-N 1 1 357.458 0.545 20 30 FCEDMO COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001691089188 1170781046 /nfs/dbraw/zinc/78/10/46/1170781046.db2.gz HPYKXUJXYLOYLR-XHSDSOJGSA-N 1 1 351.447 0.030 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccncn2)[C@@H]1C ZINC000988739250 1192426624 /nfs/dbraw/zinc/42/66/24/1192426624.db2.gz ZKTVYYIIUXRBKH-NJAFHUGGSA-N 1 1 369.469 0.612 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2ccncn2)[C@@H]1C ZINC000988739250 1192426630 /nfs/dbraw/zinc/42/66/30/1192426630.db2.gz ZKTVYYIIUXRBKH-NJAFHUGGSA-N 1 1 369.469 0.612 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001691191906 1170856074 /nfs/dbraw/zinc/85/60/74/1170856074.db2.gz GZOHGDRHALBVPB-UWWQBHOKSA-N 1 1 365.437 0.745 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001691191906 1170856075 /nfs/dbraw/zinc/85/60/75/1170856075.db2.gz GZOHGDRHALBVPB-UWWQBHOKSA-N 1 1 365.437 0.745 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001691279727 1171030366 /nfs/dbraw/zinc/03/03/66/1171030366.db2.gz AXFYEVGLICOZHX-BHYGNILZSA-N 1 1 369.473 0.997 20 30 FCEDMO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3NC(=O)c4ccccc43)[C@H]2C1 ZINC001083229780 1171046124 /nfs/dbraw/zinc/04/61/24/1171046124.db2.gz SIEFNJBJFYDZIG-FGTMMUONSA-N 1 1 353.422 0.796 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@H]1OCC ZINC001691334088 1171128043 /nfs/dbraw/zinc/12/80/43/1171128043.db2.gz WCAFJBDLXCUATE-RHSMWYFYSA-N 1 1 370.457 0.900 20 30 FCEDMO Cc1c[nH+]cn1CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000971874668 1171162134 /nfs/dbraw/zinc/16/21/34/1171162134.db2.gz HITFGYSKOAKWQB-CZUORRHYSA-N 1 1 352.398 0.764 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001022495440 1171322289 /nfs/dbraw/zinc/32/22/89/1171322289.db2.gz MCLFSYQBJODPCY-RYQLBKOJSA-N 1 1 355.438 0.979 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H]2C1 ZINC001022495440 1171322298 /nfs/dbraw/zinc/32/22/98/1171322298.db2.gz MCLFSYQBJODPCY-RYQLBKOJSA-N 1 1 355.438 0.979 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)c4oncc4C)[C@H]3C2)C1=O ZINC001083237632 1171589873 /nfs/dbraw/zinc/58/98/73/1171589873.db2.gz PBYTWDXMYMGKJK-QLFBSQMISA-N 1 1 360.414 0.295 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)c4oncc4C)[C@H]3C2)C1=O ZINC001083237632 1171589876 /nfs/dbraw/zinc/58/98/76/1171589876.db2.gz PBYTWDXMYMGKJK-QLFBSQMISA-N 1 1 360.414 0.295 20 30 FCEDMO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC001022721203 1171814705 /nfs/dbraw/zinc/81/47/05/1171814705.db2.gz OSRGBCLAIXZETF-JKIFEVAISA-N 1 1 355.442 0.901 20 30 FCEDMO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)C1 ZINC001022721199 1171814739 /nfs/dbraw/zinc/81/47/39/1171814739.db2.gz OSRGBCLAIXZETF-GRDNDAEWSA-N 1 1 355.442 0.901 20 30 FCEDMO C[C@@H]1CN(C(=O)c2ccc3cncn3c2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104420243 1171908321 /nfs/dbraw/zinc/90/83/21/1171908321.db2.gz FDFITNABYBWCAT-HUUCEWRRSA-N 1 1 368.441 0.662 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000729810368 1192498634 /nfs/dbraw/zinc/49/86/34/1192498634.db2.gz WAFHISMZVVWNCQ-GFCCVEGCSA-N 1 1 371.349 0.832 20 30 FCEDMO C[C@H](NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1)C1CC1 ZINC001691541781 1192599742 /nfs/dbraw/zinc/59/97/42/1192599742.db2.gz JACBEFZIWRWHGZ-IMJJTQAJSA-N 1 1 364.515 0.938 20 30 FCEDMO CCOCCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001691541875 1192602849 /nfs/dbraw/zinc/60/28/49/1192602849.db2.gz MKMOTBFYANAWCQ-CABCVRRESA-N 1 1 368.503 0.176 20 30 FCEDMO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C)cn1 ZINC000989163914 1192718814 /nfs/dbraw/zinc/71/88/14/1192718814.db2.gz LXEWJBDKSWDWNL-DYVFJYSZSA-N 1 1 351.410 0.987 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001691549537 1192870883 /nfs/dbraw/zinc/87/08/83/1192870883.db2.gz ADVSGNDDOXRFHB-ZNMIVQPWSA-N 1 1 355.442 0.971 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)ncn3)C[C@@H]2C1 ZINC001691550063 1192871334 /nfs/dbraw/zinc/87/13/34/1192871334.db2.gz PYNHQEPKOWGDDO-XHSDSOJGSA-N 1 1 355.442 0.317 20 30 FCEDMO CC(C)n1nccc1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001691554656 1192874723 /nfs/dbraw/zinc/87/47/23/1192874723.db2.gz PWTMWWMYSXVOPN-CABCVRRESA-N 1 1 358.446 0.498 20 30 FCEDMO CC(C)n1nccc1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001691554656 1192874725 /nfs/dbraw/zinc/87/47/25/1192874725.db2.gz PWTMWWMYSXVOPN-CABCVRRESA-N 1 1 358.446 0.498 20 30 FCEDMO 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C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC(C(N)=O)CC1 ZINC001109209583 1200110234 /nfs/dbraw/zinc/11/02/34/1200110234.db2.gz QSJOHBFQVUSDBY-IKGGRYGDSA-N 1 1 374.485 0.235 20 30 FCEDMO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC(C(N)=O)CC1 ZINC001109209583 1200110239 /nfs/dbraw/zinc/11/02/39/1200110239.db2.gz QSJOHBFQVUSDBY-IKGGRYGDSA-N 1 1 374.485 0.235 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001109213156 1200111208 /nfs/dbraw/zinc/11/12/08/1200111208.db2.gz NGVOOTBUEUPRRT-QZNHQWIBSA-N 1 1 371.441 0.571 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n2nccc2[nH]1 ZINC001109213156 1200111216 /nfs/dbraw/zinc/11/12/16/1200111216.db2.gz NGVOOTBUEUPRRT-QZNHQWIBSA-N 1 1 371.441 0.571 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[nH]nc31)C2 ZINC001109316990 1200162939 /nfs/dbraw/zinc/16/29/39/1200162939.db2.gz CJYCMYIZWLCZLE-MPTQWLOMSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3n[nH]nc31)C2 ZINC001109316990 1200162944 /nfs/dbraw/zinc/16/29/44/1200162944.db2.gz CJYCMYIZWLCZLE-MPTQWLOMSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nnnc13)C2 ZINC001109332780 1200191126 /nfs/dbraw/zinc/19/11/26/1200191126.db2.gz CLXLHNIVWJQNCS-NEBZKDRISA-N 1 1 369.429 0.150 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3nnnc13)C2 ZINC001109332780 1200191133 /nfs/dbraw/zinc/19/11/33/1200191133.db2.gz CLXLHNIVWJQNCS-NEBZKDRISA-N 1 1 369.429 0.150 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129390099 1200191840 /nfs/dbraw/zinc/19/18/40/1200191840.db2.gz HKPOARYTZZYALM-RDBSUJKOSA-N 1 1 363.466 0.279 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129390099 1200191849 /nfs/dbraw/zinc/19/18/49/1200191849.db2.gz HKPOARYTZZYALM-RDBSUJKOSA-N 1 1 363.466 0.279 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccn(C)n1)C2 ZINC001109358359 1200202407 /nfs/dbraw/zinc/20/24/07/1200202407.db2.gz GHTXXIXAZGYTDH-ORQFMDKSSA-N 1 1 357.458 0.212 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccn(C)n1)C2 ZINC001109358359 1200202411 /nfs/dbraw/zinc/20/24/11/1200202411.db2.gz GHTXXIXAZGYTDH-ORQFMDKSSA-N 1 1 357.458 0.212 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1CCC3)C2 ZINC001109380806 1200224492 /nfs/dbraw/zinc/22/44/92/1200224492.db2.gz RQKSSQRFCGDAAO-LGWLGOQQSA-N 1 1 357.458 0.855 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn3c1CCC3)C2 ZINC001109380806 1200224499 /nfs/dbraw/zinc/22/44/99/1200224499.db2.gz RQKSSQRFCGDAAO-LGWLGOQQSA-N 1 1 357.458 0.855 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnn1)C2 ZINC001109389866 1200231849 /nfs/dbraw/zinc/23/18/49/1200231849.db2.gz HMEMJAYENMXWJP-WCVJEAGWSA-N 1 1 360.462 0.471 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1ccnn1)C2 ZINC001109389866 1200231854 /nfs/dbraw/zinc/23/18/54/1200231854.db2.gz HMEMJAYENMXWJP-WCVJEAGWSA-N 1 1 360.462 0.471 20 30 FCEDMO C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)CCC1 ZINC001109395295 1200242101 /nfs/dbraw/zinc/24/21/01/1200242101.db2.gz FHLXDYWDZXWHEQ-ILXRZTDVSA-N 1 1 358.442 0.453 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COc2cc(C)on2)C3)C1=O ZINC001109423806 1200263496 /nfs/dbraw/zinc/26/34/96/1200263496.db2.gz CLSHFJDYJFGBLP-FXUDXRNXSA-N 1 1 374.441 0.870 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COc2cc(C)on2)C3)C1=O ZINC001109423806 1200263507 /nfs/dbraw/zinc/26/35/07/1200263507.db2.gz CLSHFJDYJFGBLP-FXUDXRNXSA-N 1 1 374.441 0.870 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]cc3c1)C2 ZINC001109435262 1200281579 /nfs/dbraw/zinc/28/15/79/1200281579.db2.gz NQMRVMDXUJCILB-FWYOQMDTSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3n[nH]cc3c1)C2 ZINC001109435262 1200281582 /nfs/dbraw/zinc/28/15/82/1200281582.db2.gz NQMRVMDXUJCILB-FWYOQMDTSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001109437566 1200282554 /nfs/dbraw/zinc/28/25/54/1200282554.db2.gz BGGOQBNAWSGGTJ-MPTQWLOMSA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001109437566 1200282557 /nfs/dbraw/zinc/28/25/57/1200282557.db2.gz BGGOQBNAWSGGTJ-MPTQWLOMSA-N 1 1 368.441 0.984 20 30 FCEDMO C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001109474591 1200309088 /nfs/dbraw/zinc/30/90/88/1200309088.db2.gz ZWBQHVAGHYKRJO-OWSLCNJRSA-N 1 1 360.502 0.578 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncnc3[nH]ccc31)C2 ZINC001109488179 1200329829 /nfs/dbraw/zinc/32/98/29/1200329829.db2.gz JYVPXKMQELCECN-NEBZKDRISA-N 1 1 368.441 0.935 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncnc3[nH]ccc31)C2 ZINC001109488179 1200329838 /nfs/dbraw/zinc/32/98/38/1200329838.db2.gz JYVPXKMQELCECN-NEBZKDRISA-N 1 1 368.441 0.935 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109541968 1200369210 /nfs/dbraw/zinc/36/92/10/1200369210.db2.gz XZJPLNXIUXVENE-NRKLIOEPSA-N 1 1 363.458 0.171 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109541968 1200369220 /nfs/dbraw/zinc/36/92/20/1200369220.db2.gz XZJPLNXIUXVENE-NRKLIOEPSA-N 1 1 363.458 0.171 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nccn1C)C2 ZINC001109548972 1200372140 /nfs/dbraw/zinc/37/21/40/1200372140.db2.gz CLQQLWZDPZECSZ-FZKCQIBNSA-N 1 1 357.458 0.212 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1nccn1C)C2 ZINC001109548972 1200372145 /nfs/dbraw/zinc/37/21/45/1200372145.db2.gz CLQQLWZDPZECSZ-FZKCQIBNSA-N 1 1 357.458 0.212 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(CC)nn1C)C2 ZINC001109544013 1200376624 /nfs/dbraw/zinc/37/66/24/1200376624.db2.gz VUIHYPFHJJRVOV-WCZJQEMASA-N 1 1 373.501 0.937 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(CC)nn1C)C2 ZINC001109544013 1200376634 /nfs/dbraw/zinc/37/66/34/1200376634.db2.gz VUIHYPFHJJRVOV-WCZJQEMASA-N 1 1 373.501 0.937 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCc1c[nH]nn1)C2 ZINC001109555981 1200379169 /nfs/dbraw/zinc/37/91/69/1200379169.db2.gz NHTUQEOIEHUVHR-ORQFMDKSSA-N 1 1 374.489 0.930 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCc1c[nH]nn1)C2 ZINC001109555981 1200379177 /nfs/dbraw/zinc/37/91/77/1200379177.db2.gz NHTUQEOIEHUVHR-ORQFMDKSSA-N 1 1 374.489 0.930 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2nc(C)no2)C3)C1=O ZINC001109583530 1200404641 /nfs/dbraw/zinc/40/46/41/1200404641.db2.gz ZXEUNBIOWXOCPI-FXUDXRNXSA-N 1 1 373.457 0.819 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2nc(C)no2)C3)C1=O ZINC001109583530 1200404643 /nfs/dbraw/zinc/40/46/43/1200404643.db2.gz ZXEUNBIOWXOCPI-FXUDXRNXSA-N 1 1 373.457 0.819 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001109594809 1200414980 /nfs/dbraw/zinc/41/49/80/1200414980.db2.gz CZUPFVICAGITSV-WCVJEAGWSA-N 1 1 360.458 0.045 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCNC1=O)C2 ZINC001109594809 1200414984 /nfs/dbraw/zinc/41/49/84/1200414984.db2.gz CZUPFVICAGITSV-WCVJEAGWSA-N 1 1 360.458 0.045 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@@H]2O)CCOCC1 ZINC001219779610 1224610534 /nfs/dbraw/zinc/61/05/34/1224610534.db2.gz AARSDKDNYFSTSE-MSOLQXFVSA-N 1 1 357.454 0.871 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@@H]2O)CCOCC1 ZINC001219779610 1224610538 /nfs/dbraw/zinc/61/05/38/1224610538.db2.gz AARSDKDNYFSTSE-MSOLQXFVSA-N 1 1 357.454 0.871 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnn(C)c3C1)C2 ZINC001109641640 1200430799 /nfs/dbraw/zinc/43/07/99/1200430799.db2.gz OFWCAEUIHGJRGS-BGTYHANMSA-N 1 1 356.470 0.896 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnn(C)c3C1)C2 ZINC001109641640 1200430803 /nfs/dbraw/zinc/43/08/03/1200430803.db2.gz OFWCAEUIHGJRGS-BGTYHANMSA-N 1 1 356.470 0.896 20 30 FCEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 ZINC001109635628 1200433420 /nfs/dbraw/zinc/43/34/20/1200433420.db2.gz LJXITYQNJZEQAQ-YVSFHVDLSA-N 1 1 361.490 0.470 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cnn(C)c1)C2 ZINC001109647265 1200438739 /nfs/dbraw/zinc/43/87/39/1200438739.db2.gz OEWZBROOGKHOIB-XRGAULLZSA-N 1 1 361.446 0.211 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cnn(C)c1)C2 ZINC001109647265 1200438745 /nfs/dbraw/zinc/43/87/45/1200438745.db2.gz 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358.442 0.411 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(=O)n1C)C2 ZINC001109708030 1200469901 /nfs/dbraw/zinc/46/99/01/1200469901.db2.gz NPQKWCPKZZYHKF-KBXIAJHMSA-N 1 1 358.442 0.411 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccnc1C)C2 ZINC001109717620 1200475325 /nfs/dbraw/zinc/47/53/25/1200475325.db2.gz YMLXZBDEGUMIHC-BGTYHANMSA-N 1 1 354.454 0.792 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccnc1C)C2 ZINC001109717620 1200475328 /nfs/dbraw/zinc/47/53/28/1200475328.db2.gz YMLXZBDEGUMIHC-BGTYHANMSA-N 1 1 354.454 0.792 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccn3ccnc13)C2 ZINC001109731694 1200493431 /nfs/dbraw/zinc/49/34/31/1200493431.db2.gz IGLTYSMYSMSDBY-KBXIAJHMSA-N 1 1 366.425 0.202 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccn3ccnc13)C2 ZINC001109731694 1200493432 /nfs/dbraw/zinc/49/34/32/1200493432.db2.gz IGLTYSMYSMSDBY-KBXIAJHMSA-N 1 1 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MFGJHGFKGPYPST-JSGCOSHPSA-N 1 1 357.418 0.252 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C)nc2)n1 ZINC001130187065 1201528165 /nfs/dbraw/zinc/52/81/65/1201528165.db2.gz TZXAXLSREVYDDH-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C)nc2)n[nH]1 ZINC001130187065 1201528168 /nfs/dbraw/zinc/52/81/68/1201528168.db2.gz TZXAXLSREVYDDH-HOTGVXAUSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC2CC2)n1 ZINC001130187827 1201528397 /nfs/dbraw/zinc/52/83/97/1201528397.db2.gz LEVIVFQEZUMSBD-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC2CC2)n[nH]1 ZINC001130187827 1201528402 /nfs/dbraw/zinc/52/84/02/1201528402.db2.gz LEVIVFQEZUMSBD-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO N#Cc1c[nH]c(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)c1 ZINC001130196048 1201533179 /nfs/dbraw/zinc/53/31/79/1201533179.db2.gz PFGDXGRURKVTEM-AAEUAGOBSA-N 1 1 361.381 0.366 20 30 FCEDMO N#Cc1c[nH]c(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)c1 ZINC001130196048 1201533185 /nfs/dbraw/zinc/53/31/85/1201533185.db2.gz PFGDXGRURKVTEM-AAEUAGOBSA-N 1 1 361.381 0.366 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC(F)(F)C2)n1 ZINC001130198348 1201533986 /nfs/dbraw/zinc/53/39/86/1201533986.db2.gz HHUQRYGSNFQRQG-STQMWFEESA-N 1 1 367.400 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC(F)(F)C2)n[nH]1 ZINC001130198348 1201533992 /nfs/dbraw/zinc/53/39/92/1201533992.db2.gz HHUQRYGSNFQRQG-STQMWFEESA-N 1 1 367.400 0.952 20 30 FCEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198307 1201533999 /nfs/dbraw/zinc/53/39/99/1201533999.db2.gz FOCABUWQGIXFDG-AGIUHOORSA-N 1 1 364.450 0.113 20 30 FCEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198307 1201534001 /nfs/dbraw/zinc/53/40/01/1201534001.db2.gz FOCABUWQGIXFDG-AGIUHOORSA-N 1 1 364.450 0.113 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccoc2)[nH]1 ZINC001130198735 1201534632 /nfs/dbraw/zinc/53/46/32/1201534632.db2.gz YNBUYOZWMFFMBF-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnn(C)c2C)n1 ZINC001130184544 1201537190 /nfs/dbraw/zinc/53/71/90/1201537190.db2.gz AVEXPNYUHBCSML-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(C)c2C)n[nH]1 ZINC001130184544 1201537192 /nfs/dbraw/zinc/53/71/92/1201537192.db2.gz AVEXPNYUHBCSML-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOC(C)C)[nH]1 ZINC001130184868 1201538055 /nfs/dbraw/zinc/53/80/55/1201538055.db2.gz KXJOGZCJKWFNSV-GJZGRUSLSA-N 1 1 363.462 0.721 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(C)c2C)[nH]1 ZINC001130185045 1201539012 /nfs/dbraw/zinc/53/90/12/1201539012.db2.gz UJMFLPVQACZSGH-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2CC)[nH]1 ZINC001130204692 1201539834 /nfs/dbraw/zinc/53/98/34/1201539834.db2.gz DZQQOVLNMPGUHC-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO N#Cc1cc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)c[nH]1 ZINC001130205171 1201540643 /nfs/dbraw/zinc/54/06/43/1201540643.db2.gz SZAFMOYBZGMQIC-STQMWFEESA-N 1 1 361.381 0.366 20 30 FCEDMO N#Cc1cc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCF)n2)c[nH]1 ZINC001130205171 1201540646 /nfs/dbraw/zinc/54/06/46/1201540646.db2.gz SZAFMOYBZGMQIC-STQMWFEESA-N 1 1 361.381 0.366 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CCC(O)CC2)n1 ZINC001130207467 1201540789 /nfs/dbraw/zinc/54/07/89/1201540789.db2.gz BKDXKJTVOSFATM-WUCCLRPBSA-N 1 1 363.462 0.620 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CCC(O)CC2)n[nH]1 ZINC001130207467 1201540795 /nfs/dbraw/zinc/54/07/95/1201540795.db2.gz BKDXKJTVOSFATM-WUCCLRPBSA-N 1 1 363.462 0.620 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[nH]1 ZINC001130204841 1201541151 /nfs/dbraw/zinc/54/11/51/1201541151.db2.gz MOXFCZXMCUCILM-KQLNYGGHSA-N 1 1 368.441 0.948 20 30 FCEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130207461 1201541190 /nfs/dbraw/zinc/54/11/90/1201541190.db2.gz BGRXZGZLJVPZNZ-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130207461 1201541195 /nfs/dbraw/zinc/54/11/95/1201541195.db2.gz BGRXZGZLJVPZNZ-GJZGRUSLSA-N 1 1 363.462 0.723 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCC)n[nH]1 ZINC001130207609 1201541712 /nfs/dbraw/zinc/54/17/12/1201541712.db2.gz IYGUSVQCVZUVFF-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCC)n1 ZINC001130207609 1201541715 /nfs/dbraw/zinc/54/17/15/1201541715.db2.gz IYGUSVQCVZUVFF-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130207741 1201541749 /nfs/dbraw/zinc/54/17/49/1201541749.db2.gz NRNJYRILRYSSSU-SNPRPXQTSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130207741 1201541755 /nfs/dbraw/zinc/54/17/55/1201541755.db2.gz NRNJYRILRYSSSU-SNPRPXQTSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130207762 1201541898 /nfs/dbraw/zinc/54/18/98/1201541898.db2.gz ORIAEDTYRZMKSE-RDBSUJKOSA-N 1 1 367.425 0.281 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130207762 1201541899 /nfs/dbraw/zinc/54/18/99/1201541899.db2.gz ORIAEDTYRZMKSE-RDBSUJKOSA-N 1 1 367.425 0.281 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](OC)C2CC2)n1 ZINC001130210191 1201543967 /nfs/dbraw/zinc/54/39/67/1201543967.db2.gz ZERYCMODQJOQKZ-DZKIICNBSA-N 1 1 363.462 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](OC)C2CC2)n[nH]1 ZINC001130210191 1201543970 /nfs/dbraw/zinc/54/39/70/1201543970.db2.gz ZERYCMODQJOQKZ-DZKIICNBSA-N 1 1 363.462 0.884 20 30 FCEDMO C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC(C)(C)C)n1 ZINC001130212820 1201544705 /nfs/dbraw/zinc/54/47/05/1201544705.db2.gz FRAWNPWIUYMZKR-IHRRRGAJSA-N 1 1 363.462 0.313 20 30 FCEDMO C[C@H](O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC(C)(C)C)n[nH]1 ZINC001130212820 1201544709 /nfs/dbraw/zinc/54/47/09/1201544709.db2.gz FRAWNPWIUYMZKR-IHRRRGAJSA-N 1 1 363.462 0.313 20 30 FCEDMO COC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212793 1201544868 /nfs/dbraw/zinc/54/48/68/1201544868.db2.gz DDVYFKYLCPOXGL-SNPRPXQTSA-N 1 1 361.446 0.331 20 30 FCEDMO COC[C@@H](C)[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212793 1201544873 /nfs/dbraw/zinc/54/48/73/1201544873.db2.gz DDVYFKYLCPOXGL-SNPRPXQTSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccnn2C)[nH]1 ZINC001130212999 1201545356 /nfs/dbraw/zinc/54/53/56/1201545356.db2.gz OFURJKZXWGVGDB-YDHLFZDLSA-N 1 1 371.445 0.053 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n[nH]1 ZINC001130216392 1201547038 /nfs/dbraw/zinc/54/70/38/1201547038.db2.gz WFAJAWIOTCVFTC-IHRRRGAJSA-N 1 1 365.478 0.866 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H](C)O)n1 ZINC001130216392 1201547042 /nfs/dbraw/zinc/54/70/42/1201547042.db2.gz WFAJAWIOTCVFTC-IHRRRGAJSA-N 1 1 365.478 0.866 20 30 FCEDMO COCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130202633 1201548640 /nfs/dbraw/zinc/54/86/40/1201548640.db2.gz FVIHPRVCUZEFCB-RDBSUJKOSA-N 1 1 364.450 0.469 20 30 FCEDMO COCCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130202633 1201548643 /nfs/dbraw/zinc/54/86/43/1201548643.db2.gz FVIHPRVCUZEFCB-RDBSUJKOSA-N 1 1 364.450 0.469 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001130200739 1201548655 /nfs/dbraw/zinc/54/86/55/1201548655.db2.gz VKECAIBJQJIGTE-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001130200739 1201548659 /nfs/dbraw/zinc/54/86/59/1201548659.db2.gz VKECAIBJQJIGTE-ZFWWWQNUSA-N 1 1 369.429 0.973 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncc(F)c2)n1 ZINC001130200574 1201549115 /nfs/dbraw/zinc/54/91/15/1201549115.db2.gz RGSGXZDNSUJAEB-KBPBESRZSA-N 1 1 360.393 0.917 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncc(F)c2)n[nH]1 ZINC001130200574 1201549118 /nfs/dbraw/zinc/54/91/18/1201549118.db2.gz RGSGXZDNSUJAEB-KBPBESRZSA-N 1 1 360.393 0.917 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CCOCC2)[nH]1 ZINC001130202893 1201549761 /nfs/dbraw/zinc/54/97/61/1201549761.db2.gz NPDQJFHOCYTPOM-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2O)n1 ZINC001130203034 1201549851 /nfs/dbraw/zinc/54/98/51/1201549851.db2.gz QFWSEBLTYTYIGP-JSGCOSHPSA-N 1 1 370.413 0.321 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2CCOCC2)n1 ZINC001130202906 1201550121 /nfs/dbraw/zinc/55/01/21/1201550121.db2.gz NWIXJPGKYRXLQY-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2CCOCC2)n[nH]1 ZINC001130202906 1201550124 /nfs/dbraw/zinc/55/01/24/1201550124.db2.gz NWIXJPGKYRXLQY-GJZGRUSLSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(COCC)CC2)n1 ZINC001130220726 1201551143 /nfs/dbraw/zinc/55/11/43/1201551143.db2.gz KBEJIPLZCQOIPD-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(COCC)CC2)n[nH]1 ZINC001130220726 1201551146 /nfs/dbraw/zinc/55/11/46/1201551146.db2.gz KBEJIPLZCQOIPD-KBPBESRZSA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncn2C)n1 ZINC001130222931 1201551747 /nfs/dbraw/zinc/55/17/47/1201551747.db2.gz IXADWJNAAKZDGK-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncn2C)n[nH]1 ZINC001130222931 1201551753 /nfs/dbraw/zinc/55/17/53/1201551753.db2.gz IXADWJNAAKZDGK-JSGCOSHPSA-N 1 1 359.434 0.506 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnnc2C)[nH]1 ZINC001130222705 1201551968 /nfs/dbraw/zinc/55/19/68/1201551968.db2.gz APVABIXQBWIQEI-GJZGRUSLSA-N 1 1 369.429 0.319 20 30 FCEDMO C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n[nH]1 ZINC001130225080 1201554381 /nfs/dbraw/zinc/55/43/81/1201554381.db2.gz RHBRUNGVATZZIU-RDBSUJKOSA-N 1 1 365.478 0.866 20 30 FCEDMO C=C(C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@@H](C)O)n1 ZINC001130225080 1201554386 /nfs/dbraw/zinc/55/43/86/1201554386.db2.gz RHBRUNGVATZZIU-RDBSUJKOSA-N 1 1 365.478 0.866 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC001130227517 1201554783 /nfs/dbraw/zinc/55/47/83/1201554783.db2.gz BTOGPZHBXOXILV-IVSAIRAKSA-N 1 1 373.457 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CCC)OC)n1 ZINC001130227703 1201555066 /nfs/dbraw/zinc/55/50/66/1201555066.db2.gz KRVAMIDYILOGNM-ZNMIVQPWSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CCC)OC)n[nH]1 ZINC001130227703 1201555071 /nfs/dbraw/zinc/55/50/71/1201555071.db2.gz KRVAMIDYILOGNM-ZNMIVQPWSA-N 1 1 363.462 0.721 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cnn2C)[nH]1 ZINC001130227706 1201555269 /nfs/dbraw/zinc/55/52/69/1201555269.db2.gz KWSROMYZZCNYFS-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)(F)F)CC2)[nH]1 ZINC001130240137 1201555723 /nfs/dbraw/zinc/55/57/23/1201555723.db2.gz KDDOIOQYRJGTIM-QWRGUYRKSA-N 1 1 371.363 0.859 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncc(C)cc2C)[nH]1 ZINC001130229723 1201555780 /nfs/dbraw/zinc/55/57/80/1201555780.db2.gz BSYZMKVDMWUNMZ-GJZGRUSLSA-N 1 1 368.441 0.842 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncc(C)cc2C)n[nH]1 ZINC001130229723 1201555784 /nfs/dbraw/zinc/55/57/84/1201555784.db2.gz BSYZMKVDMWUNMZ-GJZGRUSLSA-N 1 1 368.441 0.842 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(F)CCOC2)[nH]1 ZINC001130234669 1201557818 /nfs/dbraw/zinc/55/78/18/1201557818.db2.gz HFHYBIUEJDHHGW-DCGLDWPTSA-N 1 1 365.409 0.035 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001130244203 1201563455 /nfs/dbraw/zinc/56/34/55/1201563455.db2.gz DDRNUPNKFADTJU-DEYYWGMASA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)CCOC2)n[nH]1 ZINC001130244203 1201563461 /nfs/dbraw/zinc/56/34/61/1201563461.db2.gz DDRNUPNKFADTJU-DEYYWGMASA-N 1 1 361.446 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)nc2C)n1 ZINC001130244585 1201563602 /nfs/dbraw/zinc/56/36/02/1201563602.db2.gz KRIGCHYATIEHGC-ZFWWWQNUSA-N 1 1 371.445 0.790 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)nc2C)n[nH]1 ZINC001130244585 1201563606 /nfs/dbraw/zinc/56/36/06/1201563606.db2.gz KRIGCHYATIEHGC-ZFWWWQNUSA-N 1 1 371.445 0.790 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)OCCOC)n1 ZINC001130244600 1201564032 /nfs/dbraw/zinc/56/40/32/1201564032.db2.gz LFWIKOJKLQNJIZ-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)OCCOC)n[nH]1 ZINC001130244600 1201564035 /nfs/dbraw/zinc/56/40/35/1201564035.db2.gz LFWIKOJKLQNJIZ-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnon2)n1 ZINC001130244206 1201564238 /nfs/dbraw/zinc/56/42/38/1201564238.db2.gz DFQXVDUXVYSJNQ-AAEUAGOBSA-N 1 1 361.406 0.546 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnon2)n[nH]1 ZINC001130244206 1201564243 /nfs/dbraw/zinc/56/42/43/1201564243.db2.gz DFQXVDUXVYSJNQ-AAEUAGOBSA-N 1 1 361.406 0.546 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nc(C)oc2C)[nH]1 ZINC001130244873 1201565085 /nfs/dbraw/zinc/56/50/85/1201565085.db2.gz OQPVGRSZDCSRRF-STQMWFEESA-N 1 1 358.402 0.435 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2c(C)n[nH]c2C)[nH]1 ZINC001130248938 1201567593 /nfs/dbraw/zinc/56/75/93/1201567593.db2.gz BDEDLNBDRAUDCH-ZFWWWQNUSA-N 1 1 371.445 0.099 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CCCOC2)n1 ZINC001130248962 1201568108 /nfs/dbraw/zinc/56/81/08/1201568108.db2.gz CFAXCCAVLNUGCA-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CCCOC2)n[nH]1 ZINC001130248962 1201568113 /nfs/dbraw/zinc/56/81/13/1201568113.db2.gz CFAXCCAVLNUGCA-KKUMJFAQSA-N 1 1 363.462 0.886 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]cnc2CC)n1 ZINC001130251433 1201569899 /nfs/dbraw/zinc/56/98/99/1201569899.db2.gz ULLNRJODIOELFW-JSGCOSHPSA-N 1 1 371.445 0.506 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]cnc2CC)n[nH]1 ZINC001130251433 1201569902 /nfs/dbraw/zinc/56/99/02/1201569902.db2.gz ULLNRJODIOELFW-JSGCOSHPSA-N 1 1 371.445 0.506 20 30 FCEDMO CCC[N@@H+](C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 ZINC001130251515 1201570016 /nfs/dbraw/zinc/57/00/16/1201570016.db2.gz YOQRPMSSZAVHDV-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO CCC[N@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130251515 1201570018 /nfs/dbraw/zinc/57/00/18/1201570018.db2.gz YOQRPMSSZAVHDV-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO CCC[N@@H+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2CNCC#N)[nH]1 ZINC001130251515 1201570023 /nfs/dbraw/zinc/57/00/23/1201570023.db2.gz YOQRPMSSZAVHDV-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO CCC[N@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130251515 1201570028 /nfs/dbraw/zinc/57/00/28/1201570028.db2.gz YOQRPMSSZAVHDV-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO CCC[N@@H+](C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2CNCC#N)n1 ZINC001130251515 1201570032 /nfs/dbraw/zinc/57/00/32/1201570032.db2.gz YOQRPMSSZAVHDV-KBPBESRZSA-N 1 1 363.466 0.138 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)n(C)n2)[nH]1 ZINC001130253768 1201570858 /nfs/dbraw/zinc/57/08/58/1201570858.db2.gz OPJAIHTZOFUMJV-ZFWWWQNUSA-N 1 1 371.445 0.126 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(CC)n(C)n2)n[nH]1 ZINC001130253768 1201570865 /nfs/dbraw/zinc/57/08/65/1201570865.db2.gz OPJAIHTZOFUMJV-ZFWWWQNUSA-N 1 1 371.445 0.126 20 30 FCEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2nc[nH]n2)CC1 ZINC001130282467 1201572458 /nfs/dbraw/zinc/57/24/58/1201572458.db2.gz URJGZZKLUFUMKU-KDOFPFPSSA-N 1 1 360.462 0.399 20 30 FCEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O ZINC001090485194 1201595353 /nfs/dbraw/zinc/59/53/53/1201595353.db2.gz QVAWYKKUIKEAFC-ZIAGYGMSSA-N 1 1 369.429 0.424 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001220000113 1224722147 /nfs/dbraw/zinc/72/21/47/1224722147.db2.gz AHFILEYWJZZUTF-IXDOHACOSA-N 1 1 364.417 0.883 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001220000113 1224722150 /nfs/dbraw/zinc/72/21/50/1224722150.db2.gz AHFILEYWJZZUTF-IXDOHACOSA-N 1 1 364.417 0.883 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2COc3ccc(F)cc3C2)[C@@H](O)C1 ZINC001220002355 1224724191 /nfs/dbraw/zinc/72/41/91/1224724191.db2.gz HTEGKDPWGCKFLE-OIISXLGYSA-N 1 1 364.417 0.741 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccon2)C1 ZINC001130572243 1202720998 /nfs/dbraw/zinc/72/09/98/1202720998.db2.gz ZMLQOZSDDDDDRS-YXJHDRRASA-N 1 1 359.430 0.819 20 30 FCEDMO CC#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130644435 1202745745 /nfs/dbraw/zinc/74/57/45/1202745745.db2.gz RUCBKFXMDFPKND-FUHWJXTLSA-N 1 1 369.473 0.826 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1c1cn(C)cn1 ZINC001130726361 1202768034 /nfs/dbraw/zinc/76/80/34/1202768034.db2.gz UYJBHOYFPDVUNI-KBXCAEBGSA-N 1 1 363.425 0.913 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CNC(C)=O)n[nH]2)O1 ZINC001130747081 1202774856 /nfs/dbraw/zinc/77/48/56/1202774856.db2.gz OILFEPZFTXRHNG-UONOGXRCSA-N 1 1 364.450 0.333 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccn3)n[nH]2)O1 ZINC001130749660 1202775861 /nfs/dbraw/zinc/77/58/61/1202775861.db2.gz LFXVLMMRDXTLAA-GXTWGEPZSA-N 1 1 357.418 0.911 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[n+]([O-])cc3)n[nH]2)O1 ZINC001130752959 1202776193 /nfs/dbraw/zinc/77/61/93/1202776193.db2.gz JUINERJSINQQHB-UONOGXRCSA-N 1 1 358.402 0.364 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]n3)n[nH]2)O1 ZINC001130753051 1202776484 /nfs/dbraw/zinc/77/64/84/1202776484.db2.gz OKHSSDKAERDJJP-WCQYABFASA-N 1 1 371.401 0.063 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCCC=C)n[nH]2)O1 ZINC001130762206 1202778794 /nfs/dbraw/zinc/77/87/94/1202778794.db2.gz OYUSFVBMRBJJAM-QLFBSQMISA-N 1 1 361.446 0.845 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3C)n[nH]2)O1 ZINC001130759665 1202781256 /nfs/dbraw/zinc/78/12/56/1202781256.db2.gz DVIAHEKYPUAPEK-GXTWGEPZSA-N 1 1 357.418 0.220 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC3CC3)n[nH]2)O1 ZINC001130764963 1202783963 /nfs/dbraw/zinc/78/39/63/1202783963.db2.gz AGJNMXOEHMSHPL-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncoc3C)n[nH]2)O1 ZINC001130765190 1202783976 /nfs/dbraw/zinc/78/39/76/1202783976.db2.gz GLXBXAFZFSJQEY-QWHCGFSZSA-N 1 1 358.402 0.864 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC(=O)NCC)n[nH]2)O1 ZINC001130765429 1202784229 /nfs/dbraw/zinc/78/42/29/1202784229.db2.gz SDSRLIBXLJQRAS-QWHCGFSZSA-N 1 1 364.450 0.333 20 30 FCEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@@H](O)COC)O2)n1 ZINC001130767421 1202785207 /nfs/dbraw/zinc/78/52/07/1202785207.db2.gz 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357.418 0.301 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CC)c3)n[nH]2)O1 ZINC001130772714 1202788190 /nfs/dbraw/zinc/78/81/90/1202788190.db2.gz YMHLKSUKRSVCBH-LSDHHAIUSA-N 1 1 371.445 0.784 20 30 FCEDMO COCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[nH]2)O1 ZINC001130785478 1202789459 /nfs/dbraw/zinc/78/94/59/1202789459.db2.gz PJWMCRYJGSSTAL-LSDHHAIUSA-N 1 1 361.446 0.681 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130778076 1202791806 /nfs/dbraw/zinc/79/18/06/1202791806.db2.gz DYCKNOGXTMJJNJ-IYOUNJFTSA-N 1 1 361.446 0.581 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC(O)CC3)n[nH]2)O1 ZINC001130780833 1202792216 /nfs/dbraw/zinc/79/22/16/1202792216.db2.gz FSCYNYFJKBUAHO-PFSRBDOWSA-N 1 1 361.446 0.415 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[nH]2)O1 ZINC001130782979 1202794294 /nfs/dbraw/zinc/79/42/94/1202794294.db2.gz IGSAHPFUFKRGFD-UONOGXRCSA-N 1 1 369.429 0.666 20 30 FCEDMO 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C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001069962475 1216869544 /nfs/dbraw/zinc/86/95/44/1216869544.db2.gz YJYXDBLJUVQUMJ-OIISXLGYSA-N 1 1 371.441 0.879 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C[C@@H]21 ZINC001223352826 1225700289 /nfs/dbraw/zinc/70/02/89/1225700289.db2.gz BZQQHZITQYHKFH-CVEARBPZSA-N 1 1 370.453 0.687 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C[C@@H]21 ZINC001223352826 1225700296 /nfs/dbraw/zinc/70/02/96/1225700296.db2.gz BZQQHZITQYHKFH-CVEARBPZSA-N 1 1 370.453 0.687 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2nnc3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001069979764 1216882119 /nfs/dbraw/zinc/88/21/19/1216882119.db2.gz NLXLKAIDOGDBHJ-CVEARBPZSA-N 1 1 362.397 0.295 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2nnc3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001069979764 1216882120 /nfs/dbraw/zinc/88/21/20/1216882120.db2.gz NLXLKAIDOGDBHJ-CVEARBPZSA-N 1 1 362.397 0.295 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069982508 1216883173 /nfs/dbraw/zinc/88/31/73/1216883173.db2.gz FVIHWMAIJZFSGU-SJORKVTESA-N 1 1 355.446 0.663 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@@H](n2ccnn2)C1 ZINC001069991324 1216886432 /nfs/dbraw/zinc/88/64/32/1216886432.db2.gz AFNRMLDGKJPMLJ-SJORKVTESA-N 1 1 353.426 0.983 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCO3)[C@@H](n2ccnn2)C1 ZINC001069991324 1216886434 /nfs/dbraw/zinc/88/64/34/1216886434.db2.gz AFNRMLDGKJPMLJ-SJORKVTESA-N 1 1 353.426 0.983 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070007133 1216894360 /nfs/dbraw/zinc/89/43/60/1216894360.db2.gz VPGIUMWAYZCRPL-SJORKVTESA-N 1 1 368.441 0.603 20 30 FCEDMO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070007133 1216894361 /nfs/dbraw/zinc/89/43/61/1216894361.db2.gz VPGIUMWAYZCRPL-SJORKVTESA-N 1 1 368.441 0.603 20 30 FCEDMO CC#CCN1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070009432 1216896278 /nfs/dbraw/zinc/89/62/78/1216896278.db2.gz ZMZCXISZMQTEDJ-NXHRZFHOSA-N 1 1 367.457 0.410 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001070042338 1216918440 /nfs/dbraw/zinc/91/84/40/1216918440.db2.gz IDQWBKHYUAQACG-CABCVRRESA-N 1 1 353.386 0.701 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001070042338 1216918444 /nfs/dbraw/zinc/91/84/44/1216918444.db2.gz IDQWBKHYUAQACG-CABCVRRESA-N 1 1 353.386 0.701 20 30 FCEDMO C#CCC[N@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070043988 1216919779 /nfs/dbraw/zinc/91/97/79/1216919779.db2.gz ULIVQVDAMVFPNO-CVEARBPZSA-N 1 1 353.430 0.418 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070043988 1216919781 /nfs/dbraw/zinc/91/97/81/1216919781.db2.gz ULIVQVDAMVFPNO-CVEARBPZSA-N 1 1 353.430 0.418 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070051716 1216928127 /nfs/dbraw/zinc/92/81/27/1216928127.db2.gz LVGZWWATGCTTMO-WCXIOVBPSA-N 1 1 371.445 0.107 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@@H](n2ccnn2)C1 ZINC001070051716 1216928130 /nfs/dbraw/zinc/92/81/30/1216928130.db2.gz LVGZWWATGCTTMO-WCXIOVBPSA-N 1 1 371.445 0.107 20 30 FCEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC[C@H](C)F)C[C@@H]2n2ccnn2)nn1 ZINC001070051913 1216929259 /nfs/dbraw/zinc/92/92/59/1216929259.db2.gz XCRIBAGTDZJPCP-GUTXKFCHSA-N 1 1 362.413 0.459 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]21 ZINC001223505509 1225711571 /nfs/dbraw/zinc/71/15/71/1225711571.db2.gz FXMTYLHDQGPFRE-WCVJEAGWSA-N 1 1 362.474 0.113 20 30 FCEDMO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223522629 1225712717 /nfs/dbraw/zinc/71/27/17/1225712717.db2.gz VQMZXAFFICLSNL-ANQUJSFKSA-N 1 1 370.457 0.086 20 30 FCEDMO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223522629 1225712722 /nfs/dbraw/zinc/71/27/22/1225712722.db2.gz VQMZXAFFICLSNL-ANQUJSFKSA-N 1 1 370.457 0.086 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]21 ZINC001223512927 1225713064 /nfs/dbraw/zinc/71/30/64/1225713064.db2.gz RZYCZUYZKKWNRZ-NCOADZHNSA-N 1 1 374.485 0.231 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(CC)cn3)C[C@@H]21 ZINC001223534123 1225713393 /nfs/dbraw/zinc/71/33/93/1225713393.db2.gz GFUBNKLCDGFLLB-MJGOQNOKSA-N 1 1 368.481 0.859 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC3CCOCC3)C[C@@H]21 ZINC001223613028 1225719598 /nfs/dbraw/zinc/71/95/98/1225719598.db2.gz CPPSGKQBPHGOCF-SJORKVTESA-N 1 1 362.474 0.756 20 30 FCEDMO N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCOCC3)C[C@@H]21 ZINC001223613028 1225719601 /nfs/dbraw/zinc/71/96/01/1225719601.db2.gz CPPSGKQBPHGOCF-SJORKVTESA-N 1 1 362.474 0.756 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCOCC3)C[C@@H]21 ZINC001223613010 1225719646 /nfs/dbraw/zinc/71/96/46/1225719646.db2.gz BXEWKKFASYGZPL-MSOLQXFVSA-N 1 1 361.486 0.865 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC001223660079 1225724781 /nfs/dbraw/zinc/72/47/81/1225724781.db2.gz OXGSKOLSDDZYHN-ZBFHGGJFSA-N 1 1 366.425 0.015 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC001223660079 1225724784 /nfs/dbraw/zinc/72/47/84/1225724784.db2.gz OXGSKOLSDDZYHN-ZBFHGGJFSA-N 1 1 366.425 0.015 20 30 FCEDMO C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]21 ZINC001223667542 1225725566 /nfs/dbraw/zinc/72/55/66/1225725566.db2.gz OGLDKOYUAGKMAB-CVEARBPZSA-N 1 1 364.490 0.374 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]21 ZINC001223667542 1225725572 /nfs/dbraw/zinc/72/55/72/1225725572.db2.gz OGLDKOYUAGKMAB-CVEARBPZSA-N 1 1 364.490 0.374 20 30 FCEDMO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O ZINC001041205197 1217231409 /nfs/dbraw/zinc/23/14/09/1217231409.db2.gz BFSGDELBCOGOKU-ARFHVFGLSA-N 1 1 358.446 0.277 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c(C)nn(CC)c3C)C[C@@H]21 ZINC001223684949 1225727706 /nfs/dbraw/zinc/72/77/06/1225727706.db2.gz ZQYKHTYSLZFHAG-SJORKVTESA-N 1 1 371.485 0.806 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)nn(CC)c3C)C[C@@H]21 ZINC001223684949 1225727712 /nfs/dbraw/zinc/72/77/12/1225727712.db2.gz ZQYKHTYSLZFHAG-SJORKVTESA-N 1 1 371.485 0.806 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001223716377 1225729678 /nfs/dbraw/zinc/72/96/78/1225729678.db2.gz CTBCDXPCKQNXNY-ZBFHGGJFSA-N 1 1 359.430 0.807 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnon3)C[C@@H]21 ZINC001223716377 1225729681 /nfs/dbraw/zinc/72/96/81/1225729681.db2.gz CTBCDXPCKQNXNY-ZBFHGGJFSA-N 1 1 359.430 0.807 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]2O)CC[N@H+]1C ZINC001041388847 1217306584 /nfs/dbraw/zinc/30/65/84/1217306584.db2.gz WCWSZTLRDYJHHG-ZJIFWQFVSA-N 1 1 358.446 0.053 20 30 FCEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O ZINC001041429844 1217328297 /nfs/dbraw/zinc/32/82/97/1217328297.db2.gz NWADBFIOBDWMSK-IXDOHACOSA-N 1 1 357.458 0.739 20 30 FCEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O ZINC001041430724 1217329428 /nfs/dbraw/zinc/32/94/28/1217329428.db2.gz XLWGKFZRQKYMKZ-OWCLPIDISA-N 1 1 358.446 0.134 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCN3CCNC3=O)C2)C1 ZINC001041695747 1217355035 /nfs/dbraw/zinc/35/50/35/1217355035.db2.gz GLWPOGXLOAWKHD-JTDSTZFVSA-N 1 1 362.474 0.527 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3C3CC3)C[C@@H]21 ZINC001223815689 1225737697 /nfs/dbraw/zinc/73/76/97/1225737697.db2.gz QSBUQBXSIDSQSK-CJNGLKHVSA-N 1 1 356.426 0.838 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnoc3C3CC3)C[C@@H]21 ZINC001223815689 1225737701 /nfs/dbraw/zinc/73/77/01/1225737701.db2.gz QSBUQBXSIDSQSK-CJNGLKHVSA-N 1 1 356.426 0.838 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C[C@@H]21 ZINC001223846764 1225739406 /nfs/dbraw/zinc/73/94/06/1225739406.db2.gz SETCAWXAKWMKFF-HBFSDRIKSA-N 1 1 361.486 0.818 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cccn3)C[C@@H]21 ZINC001223856860 1225740968 /nfs/dbraw/zinc/74/09/68/1225740968.db2.gz ORTMCVHFCRVSTC-ZACQAIPSSA-N 1 1 357.458 0.506 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 ZINC001223901347 1225744115 /nfs/dbraw/zinc/74/41/15/1225744115.db2.gz XVKOGKUDEDYSBE-PBHICJAKSA-N 1 1 369.469 0.195 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 ZINC001223901347 1225744119 /nfs/dbraw/zinc/74/41/19/1225744119.db2.gz XVKOGKUDEDYSBE-PBHICJAKSA-N 1 1 369.469 0.195 20 30 FCEDMO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 ZINC001223904531 1225745243 /nfs/dbraw/zinc/74/52/43/1225745243.db2.gz VBADQVZDHFTVMN-HIFRSBDPSA-N 1 1 356.430 0.920 20 30 FCEDMO C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)c1cccnc1 ZINC001223921880 1225746466 /nfs/dbraw/zinc/74/64/66/1225746466.db2.gz CKMXGAGMBAXOTQ-INMHGKMJSA-N 1 1 355.442 0.748 20 30 FCEDMO C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)c1cccnc1 ZINC001223921880 1225746473 /nfs/dbraw/zinc/74/64/73/1225746473.db2.gz CKMXGAGMBAXOTQ-INMHGKMJSA-N 1 1 355.442 0.748 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)cn1 ZINC001223932490 1225747133 /nfs/dbraw/zinc/74/71/33/1225747133.db2.gz OQOVAXPKGBWXIV-PBHICJAKSA-N 1 1 351.410 0.239 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)cn1 ZINC001223932490 1225747139 /nfs/dbraw/zinc/74/71/39/1225747139.db2.gz OQOVAXPKGBWXIV-PBHICJAKSA-N 1 1 351.410 0.239 20 30 FCEDMO CN(C)c1ccc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)cc1 ZINC001223991887 1225750414 /nfs/dbraw/zinc/75/04/14/1225750414.db2.gz ZWHBDWFKAXKDIV-QAPCUYQASA-N 1 1 369.469 0.929 20 30 FCEDMO CN(C)c1ccc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)cc1 ZINC001223991887 1225750418 /nfs/dbraw/zinc/75/04/18/1225750418.db2.gz ZWHBDWFKAXKDIV-QAPCUYQASA-N 1 1 369.469 0.929 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2OC)CC[N@H+]1C ZINC001043000016 1217549108 /nfs/dbraw/zinc/54/91/08/1217549108.db2.gz NRCRVZKCDUYMQC-ZJIFWQFVSA-N 1 1 358.446 0.398 20 30 FCEDMO C=CCCn1cc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2OC)nn1 ZINC001043004164 1217550234 /nfs/dbraw/zinc/55/02/34/1217550234.db2.gz MNSBSJJSWROTEQ-GDBMZVCRSA-N 1 1 371.445 0.895 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CCC)NC(N)=O)C[C@@H]21 ZINC001224009630 1225751335 /nfs/dbraw/zinc/75/13/35/1225751335.db2.gz LLJTVURKXMBYQZ-KFWWJZLASA-N 1 1 365.478 0.048 20 30 FCEDMO Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224110598 1225757537 /nfs/dbraw/zinc/75/75/37/1225757537.db2.gz HAXPMLHXLAUVSR-ZBFHGGJFSA-N 1 1 358.446 0.132 20 30 FCEDMO Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224110598 1225757543 /nfs/dbraw/zinc/75/75/43/1225757543.db2.gz HAXPMLHXLAUVSR-ZBFHGGJFSA-N 1 1 358.446 0.132 20 30 FCEDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)c(C)n1C ZINC001224094198 1225756156 /nfs/dbraw/zinc/75/61/56/1225756156.db2.gz OCRKSDYOHGAVGF-WBVHZDCISA-N 1 1 357.458 0.818 20 30 FCEDMO Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)c(C)n1C ZINC001224094198 1225756157 /nfs/dbraw/zinc/75/61/57/1225756157.db2.gz OCRKSDYOHGAVGF-WBVHZDCISA-N 1 1 357.458 0.818 20 30 FCEDMO C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001224093376 1225756266 /nfs/dbraw/zinc/75/62/66/1225756266.db2.gz CVKMGEKXUPRGIZ-WBVHZDCISA-N 1 1 364.490 0.903 20 30 FCEDMO C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001043273262 1217625377 /nfs/dbraw/zinc/62/53/77/1217625377.db2.gz ZCXKLKAFGZEYMD-HRCADAONSA-N 1 1 367.490 0.387 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001043433818 1217656507 /nfs/dbraw/zinc/65/65/07/1217656507.db2.gz XVDMAMBHWCIDGV-OAGGEKHMSA-N 1 1 365.474 0.141 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3nc4ncccn4n3)C[C@@H]21 ZINC001224130113 1225760332 /nfs/dbraw/zinc/76/03/32/1225760332.db2.gz NXONUHXZHNXRMG-CVEARBPZSA-N 1 1 368.441 0.239 20 30 FCEDMO C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1Nc1nccnc1C#N ZINC001043639533 1217686889 /nfs/dbraw/zinc/68/68/89/1217686889.db2.gz HTWHFRGHDHVGIW-DBFSDKRGSA-N 1 1 368.441 0.470 20 30 FCEDMO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3CN(c4ncc(C#N)cc4F)C[C@@H]32)C1 ZINC001043727362 1217719953 /nfs/dbraw/zinc/71/99/53/1217719953.db2.gz OXANGZFZZXAMHZ-VNQPRFMTSA-N 1 1 359.405 0.460 20 30 FCEDMO C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(c4ncccc4C#N)C[C@@H]32)C1 ZINC001043734078 1217722985 /nfs/dbraw/zinc/72/29/85/1217722985.db2.gz BVSFABLKGBSBLP-HYVNUMGLSA-N 1 1 355.442 0.711 20 30 FCEDMO Cc1c[nH+]cn1CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 ZINC001043770553 1217738633 /nfs/dbraw/zinc/73/86/33/1217738633.db2.gz SRIOGXVYDXMHAY-JKSUJKDBSA-N 1 1 352.398 0.574 20 30 FCEDMO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)CC[N@H+]1C ZINC001043786274 1217742603 /nfs/dbraw/zinc/74/26/03/1217742603.db2.gz QGLABTXFKZETTK-NXNVCVFFSA-N 1 1 370.457 0.495 20 30 FCEDMO C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 ZINC001043790724 1217744157 /nfs/dbraw/zinc/74/41/57/1217744157.db2.gz HTLDOGXALPJULO-VNQPRFMTSA-N 1 1 356.430 0.249 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(CC(=O)NCC)[C@H]3C2)CC1 ZINC001224222759 1225765869 /nfs/dbraw/zinc/76/58/69/1225765869.db2.gz ZAYGBFFWYKVLKX-AEFFLSMTSA-N 1 1 360.502 0.391 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)CC[N@H+]1C ZINC001043808782 1217751069 /nfs/dbraw/zinc/75/10/69/1217751069.db2.gz WQISZFZSKLMFKI-VVLHAWIVSA-N 1 1 370.457 0.495 20 30 FCEDMO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)CC[N@H+]1C ZINC001043808594 1217751341 /nfs/dbraw/zinc/75/13/41/1217751341.db2.gz RMPOHVAPPWGWRM-VVLHAWIVSA-N 1 1 370.457 0.495 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NC(=O)NCC)[C@H]2C1 ZINC001224281213 1225769913 /nfs/dbraw/zinc/76/99/13/1225769913.db2.gz VOEWRHHAEGTNDK-ZNMIVQPWSA-N 1 1 366.462 0.346 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NC(=O)NCC)[C@H]2C1 ZINC001224281213 1225769919 /nfs/dbraw/zinc/76/99/19/1225769919.db2.gz VOEWRHHAEGTNDK-ZNMIVQPWSA-N 1 1 366.462 0.346 20 30 FCEDMO Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H](O)C2)n1 ZINC001044190479 1217814808 /nfs/dbraw/zinc/81/48/08/1217814808.db2.gz BBAZPBPFROEZMQ-IKGGRYGDSA-N 1 1 357.458 0.800 20 30 FCEDMO Cc1cc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H](O)C2)c(C#N)cn1 ZINC001044244871 1217824551 /nfs/dbraw/zinc/82/45/51/1217824551.db2.gz HJKHHSWTYURFFC-WDYCEAGBSA-N 1 1 371.485 0.905 20 30 FCEDMO N#Cc1nccc(N2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H](O)C2)n1 ZINC001044249601 1217825368 /nfs/dbraw/zinc/82/53/68/1217825368.db2.gz XSRJEMNCHQGHLN-OAGGEKHMSA-N 1 1 370.457 0.421 20 30 FCEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CN(c3ncccc3C#N)C[C@@H]1O)CC2 ZINC001044441244 1217846801 /nfs/dbraw/zinc/84/68/01/1217846801.db2.gz KUAVCPCUFPEXEM-OIISXLGYSA-N 1 1 366.425 0.387 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)C[C@@H]1O ZINC001044670106 1217868784 /nfs/dbraw/zinc/86/87/84/1217868784.db2.gz JKTUBJIFYHUCEW-WCVJEAGWSA-N 1 1 360.458 0.994 20 30 FCEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O ZINC001044703195 1217871965 /nfs/dbraw/zinc/87/19/65/1217871965.db2.gz GOKQECZKXWCQLX-ZACQAIPSSA-N 1 1 357.458 0.802 20 30 FCEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O ZINC001044704548 1217872661 /nfs/dbraw/zinc/87/26/61/1217872661.db2.gz ZHGIFJHKVSLOJO-OAGGEKHMSA-N 1 1 358.446 0.197 20 30 FCEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001044779244 1217879891 /nfs/dbraw/zinc/87/98/91/1217879891.db2.gz XLWGKFZRQKYMKZ-PMPSAXMXSA-N 1 1 358.446 0.134 20 30 FCEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(c4cncc(C#N)n4)[C@H]3C2)C1 ZINC001044952243 1217891078 /nfs/dbraw/zinc/89/10/78/1217891078.db2.gz XACUTMXESOWNKB-BPUTZDHNSA-N 1 1 356.430 0.106 20 30 FCEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(c4cncc(C#N)n4)[C@H]3C2)C1 ZINC001044952243 1217891079 /nfs/dbraw/zinc/89/10/79/1217891079.db2.gz XACUTMXESOWNKB-BPUTZDHNSA-N 1 1 356.430 0.106 20 30 FCEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(c4ccnc(C#N)n4)[C@H]3C2)C1 ZINC001045044986 1217896149 /nfs/dbraw/zinc/89/61/49/1217896149.db2.gz ICDCWAYOTBGPCK-JYJNAYRXSA-N 1 1 370.457 0.496 20 30 FCEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(c4ccnc(C#N)n4)[C@H]3C2)C1 ZINC001045044986 1217896150 /nfs/dbraw/zinc/89/61/50/1217896150.db2.gz ICDCWAYOTBGPCK-JYJNAYRXSA-N 1 1 370.457 0.496 20 30 FCEDMO Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1 ZINC001045045970 1217896298 /nfs/dbraw/zinc/89/62/98/1217896298.db2.gz ZBUSKQAKVCTLFU-HOCLYGCPSA-N 1 1 351.414 0.981 20 30 FCEDMO N#Cc1ccccc1OCCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(N)=O ZINC001276964990 1225774795 /nfs/dbraw/zinc/77/47/95/1225774795.db2.gz DSAPWTFKYBTZAI-LJQANCHMSA-N 1 1 356.426 0.879 20 30 FCEDMO N#Cc1ccccc1OCCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(N)=O ZINC001276964990 1225774798 /nfs/dbraw/zinc/77/47/98/1225774798.db2.gz DSAPWTFKYBTZAI-LJQANCHMSA-N 1 1 356.426 0.879 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C[C@@H]21 ZINC001224337448 1225775084 /nfs/dbraw/zinc/77/50/84/1225775084.db2.gz PLAMJPFKCJUFCQ-IKGGRYGDSA-N 1 1 359.470 0.475 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C[C@@H]21 ZINC001224337448 1225775088 /nfs/dbraw/zinc/77/50/88/1225775088.db2.gz PLAMJPFKCJUFCQ-IKGGRYGDSA-N 1 1 359.470 0.475 20 30 FCEDMO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)C1CCOCC1 ZINC001224336676 1225775217 /nfs/dbraw/zinc/77/52/17/1225775217.db2.gz KCICVTRMTWANQR-UAGQMJEPSA-N 1 1 362.474 0.612 20 30 FCEDMO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)C1CCOCC1 ZINC001224336676 1225775221 /nfs/dbraw/zinc/77/52/21/1225775221.db2.gz KCICVTRMTWANQR-UAGQMJEPSA-N 1 1 362.474 0.612 20 30 FCEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)C1 ZINC001045504562 1217935000 /nfs/dbraw/zinc/93/50/00/1217935000.db2.gz PHUPLBWPCXCOAD-BZUAXINKSA-N 1 1 358.446 0.908 20 30 FCEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(C#N)n2)C1 ZINC001045504562 1217935003 /nfs/dbraw/zinc/93/50/03/1217935003.db2.gz PHUPLBWPCXCOAD-BZUAXINKSA-N 1 1 358.446 0.908 20 30 FCEDMO CCOC(=O)[C@H]1CN(CCCC#N)C(=O)C12CC[NH+](CC(=O)NC)CC2 ZINC001276981643 1225784665 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COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159442 1219247309 /nfs/dbraw/zinc/24/73/09/1219247309.db2.gz CPPCEGXPVGLFTN-CFVMTHIKSA-N 1 1 355.402 0.383 20 30 FCEDMO CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159582 1219247637 /nfs/dbraw/zinc/24/76/37/1219247637.db2.gz IYIUJNBVMHBKTD-XZJROXQQSA-N 1 1 357.418 0.838 20 30 FCEDMO COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)c(C)n1 ZINC001070160034 1219248715 /nfs/dbraw/zinc/24/87/15/1219248715.db2.gz ZZLMLSUODFMCIW-DFBGVHRSSA-N 1 1 370.417 0.087 20 30 FCEDMO CC(C)[C@@H](O)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001070189045 1219280981 /nfs/dbraw/zinc/28/09/81/1219280981.db2.gz ZQQHEOSPNPVVJI-FGTMMUONSA-N 1 1 368.441 0.708 20 30 FCEDMO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1n1ccnn1 ZINC001070193866 1219286268 /nfs/dbraw/zinc/28/62/68/1219286268.db2.gz VKIGZNDRKCQXFW-QRQLOZEOSA-N 1 1 370.501 0.907 20 30 FCEDMO 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C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncccc2O)CC1 ZINC001070370764 1219401254 /nfs/dbraw/zinc/40/12/54/1219401254.db2.gz KLZCQFJQQWHTHI-PBHICJAKSA-N 1 1 356.426 0.509 20 30 FCEDMO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001070377288 1219404835 /nfs/dbraw/zinc/40/48/35/1219404835.db2.gz PZCXOWJJUUEJLQ-MJGOQNOKSA-N 1 1 360.502 0.437 20 30 FCEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(CC#N)CC2)C1 ZINC001070381832 1219407139 /nfs/dbraw/zinc/40/71/39/1219407139.db2.gz XWHYYFIRYFIGDH-GMBSWORKSA-N 1 1 361.490 0.327 20 30 FCEDMO C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001070410202 1219409318 /nfs/dbraw/zinc/40/93/18/1219409318.db2.gz XSHRIGMWFUTCCD-IJEWVQPXSA-N 1 1 357.458 0.753 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001070411607 1219409942 /nfs/dbraw/zinc/40/99/42/1219409942.db2.gz SXRHCFPHRFCOLJ-CFVMTHIKSA-N 1 1 361.446 0.282 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001070411607 1219409944 /nfs/dbraw/zinc/40/99/44/1219409944.db2.gz SXRHCFPHRFCOLJ-CFVMTHIKSA-N 1 1 361.446 0.282 20 30 FCEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)n1C ZINC001070476613 1219427643 /nfs/dbraw/zinc/42/76/43/1219427643.db2.gz SMMSKDNUMCVHJU-KCQAQPDRSA-N 1 1 370.461 0.355 20 30 FCEDMO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)n1C ZINC001070476614 1219427797 /nfs/dbraw/zinc/42/77/97/1219427797.db2.gz SMMSKDNUMCVHJU-VNHYZAJKSA-N 1 1 370.461 0.355 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CCC)nn2)C3)C1=O ZINC001098118940 1219431565 /nfs/dbraw/zinc/43/15/65/1219431565.db2.gz VGTAZIILACELNJ-TXCZRRACSA-N 1 1 372.473 0.810 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(CCC)nn2)C3)C1=O ZINC001098118940 1219431566 /nfs/dbraw/zinc/43/15/66/1219431566.db2.gz VGTAZIILACELNJ-TXCZRRACSA-N 1 1 372.473 0.810 20 30 FCEDMO 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30 FCEDMO C=CCn1c(-c2ncnn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001340764741 1268648959 /nfs/dbraw/zinc/64/89/59/1268648959.db2.gz SAUCMCJYUSRLQZ-AWEZNQCLSA-N 1 1 372.477 0.949 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001340901886 1268701601 /nfs/dbraw/zinc/70/16/01/1268701601.db2.gz BITFOPNPGIFSSD-CQSZACIVSA-N 1 1 373.519 0.330 20 30 FCEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001340901886 1268701604 /nfs/dbraw/zinc/70/16/04/1268701604.db2.gz BITFOPNPGIFSSD-CQSZACIVSA-N 1 1 373.519 0.330 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)[N@@H+]1CCc2sccc2C1 ZINC001341122352 1268794919 /nfs/dbraw/zinc/79/49/19/1268794919.db2.gz MAYYIDLHGYLHOG-GXTWGEPZSA-N 1 1 362.455 0.362 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)[N@H+]1CCc2sccc2C1 ZINC001341122352 1268794928 /nfs/dbraw/zinc/79/49/28/1268794928.db2.gz MAYYIDLHGYLHOG-GXTWGEPZSA-N 1 1 362.455 0.362 20 30 FCEDMO CC(C)(C)OC(=O)N1C[C@H](NC(=O)C[NH+]2CCC(CO)CC2)[C@@H](C#N)C1 ZINC001556132726 1268815109 /nfs/dbraw/zinc/81/51/09/1268815109.db2.gz SEJYSGHPHSDVGE-GJZGRUSLSA-N 1 1 366.462 0.566 20 30 FCEDMO Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001341528425 1269058343 /nfs/dbraw/zinc/05/83/43/1269058343.db2.gz FSCBLDZBSPKCQG-OAHLLOKOSA-N 1 1 368.445 0.425 20 30 FCEDMO CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001561925593 1269290466 /nfs/dbraw/zinc/29/04/66/1269290466.db2.gz MQXBGQOEUNLIAO-ZDUSSCGKSA-N 1 1 351.363 0.056 20 30 FCEDMO C=C(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001342054995 1269322021 /nfs/dbraw/zinc/32/20/21/1269322021.db2.gz QNTFPCWEYXPCBD-AWEZNQCLSA-N 1 1 350.423 0.789 20 30 FCEDMO C=C(C)Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001342054997 1269322926 /nfs/dbraw/zinc/32/29/26/1269322926.db2.gz QNTFPCWEYXPCBD-CQSZACIVSA-N 1 1 350.423 0.789 20 30 FCEDMO C=C(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCO[C@@H](COCC)C1 ZINC001342217607 1269402346 /nfs/dbraw/zinc/40/23/46/1269402346.db2.gz OWHBRGVPCWHWBS-ZIAGYGMSSA-N 1 1 365.434 0.581 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+]([C@@H]3CCOC3)CC2)nnc1[C@]1(C)CNC(=O)C1 ZINC001343786366 1270011210 /nfs/dbraw/zinc/01/12/10/1270011210.db2.gz DZWJIYCXLKWQCH-BEFAXECRSA-N 1 1 374.489 0.543 20 30 FCEDMO N#C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC001344630872 1270214297 /nfs/dbraw/zinc/21/42/97/1270214297.db2.gz HPQFRQYDFMFLGT-QGZVFWFLSA-N 1 1 356.426 0.124 20 30 FCEDMO CC(C)C#CC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573946611 1270952560 /nfs/dbraw/zinc/95/25/60/1270952560.db2.gz GXADRLXUVQPVNF-AWEZNQCLSA-N 1 1 360.393 0.232 20 30 FCEDMO C#CCN(CCOC)c1nnc([C@H]2COCCN2)n1CCn1cc[nH+]c1C ZINC001574667923 1271468894 /nfs/dbraw/zinc/46/88/94/1271468894.db2.gz ZWHPUGSZVHGBPS-MRXNPFEDSA-N 1 1 373.461 0.230 20 30 FCEDMO C#CCCCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001574849060 1271597734 /nfs/dbraw/zinc/59/77/34/1271597734.db2.gz FNOHKENZAQQPGF-LSDHHAIUSA-N 1 1 360.462 0.441 20 30 FCEDMO C#CCN(C(=O)CCCc1c[nH]nn1)C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001574895446 1271655648 /nfs/dbraw/zinc/65/56/48/1271655648.db2.gz UZYQKKYQAWPGLP-HNNXBMFYSA-N 1 1 374.489 0.530 20 30 FCEDMO C#CCN(C(=O)c1ccc(C#C)cn1)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001574927817 1271680314 /nfs/dbraw/zinc/68/03/14/1271680314.db2.gz BJZVDHWLRXFLGC-UHFFFAOYSA-N 1 1 362.437 0.964 20 30 FCEDMO C=CCn1c([C@@H]2COCCN2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001574955622 1271686112 /nfs/dbraw/zinc/68/61/12/1271686112.db2.gz YNXYAWZRLKWQEV-OWCLPIDISA-N 1 1 362.478 0.282 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCCc2c[nH]nn2)C(C)(C)C1 ZINC001575004383 1271689707 /nfs/dbraw/zinc/68/97/07/1271689707.db2.gz FIUINRXMLAYENU-INIZCTEOSA-N 1 1 374.489 0.484 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCCc2c[nH]nn2)C(C)(C)C1 ZINC001575004383 1271689715 /nfs/dbraw/zinc/68/97/15/1271689715.db2.gz FIUINRXMLAYENU-INIZCTEOSA-N 1 1 374.489 0.484 20 30 FCEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCc2cn[nH]n2)C1 ZINC001575005036 1271690559 /nfs/dbraw/zinc/69/05/59/1271690559.db2.gz SKQDRAIKMSPVOB-HNNXBMFYSA-N 1 1 360.462 0.047 20 30 FCEDMO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575005036 1271690565 /nfs/dbraw/zinc/69/05/65/1271690565.db2.gz SKQDRAIKMSPVOB-HNNXBMFYSA-N 1 1 360.462 0.047 20 30 FCEDMO C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCc2c[nH]nn2)C1 ZINC001575005036 1271690571 /nfs/dbraw/zinc/69/05/71/1271690571.db2.gz SKQDRAIKMSPVOB-HNNXBMFYSA-N 1 1 360.462 0.047 20 30 FCEDMO C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)CCCCCc2c[nH]nn2)CC1 ZINC001575004964 1271691237 /nfs/dbraw/zinc/69/12/37/1271691237.db2.gz QUFFKPGEVGCXPQ-UHFFFAOYSA-N 1 1 374.489 0.628 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001575004209 1271691629 /nfs/dbraw/zinc/69/16/29/1271691629.db2.gz BDPXSNDCZGMLDQ-KGLIPLIRSA-N 1 1 368.441 0.660 20 30 FCEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001575065689 1271705285 /nfs/dbraw/zinc/70/52/85/1271705285.db2.gz LASHIYZVZASVPP-KBPBESRZSA-N 1 1 362.478 0.898 20 30 FCEDMO C=CC(C)(C)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCc3cn[nH]n3)C[C@@]2(C)C1 ZINC001575065705 1271705615 /nfs/dbraw/zinc/70/56/15/1271705615.db2.gz LHYHPILUGAYJKF-ACJLOTCBSA-N 1 1 360.462 0.413 20 30 FCEDMO C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1Cc1cn[nH]n1)CO2 ZINC001575093721 1271716452 /nfs/dbraw/zinc/71/64/52/1271716452.db2.gz ORLREJZJQFRHBG-WBVHZDCISA-N 1 1 374.489 0.695 20 30 FCEDMO C=CCCn1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCc3c[nH]nn3)C2)nn1 ZINC001575099744 1271720116 /nfs/dbraw/zinc/72/01/16/1271720116.db2.gz DBEGPTNSAPVLDJ-CABCVRRESA-N 1 1 372.477 0.903 20 30 FCEDMO C=CCNC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575105058 1271721522 /nfs/dbraw/zinc/72/15/22/1271721522.db2.gz ZTEIFRGWIHLWLL-AWEZNQCLSA-N 1 1 369.429 0.363 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575104750 1271722103 /nfs/dbraw/zinc/72/21/03/1271722103.db2.gz VRBXFCFDTMASLP-RYUDHWBXSA-N 1 1 357.418 0.265 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCc2cn[nH]n2)C1 ZINC001575104295 1271722283 /nfs/dbraw/zinc/72/22/83/1271722283.db2.gz OYELEZRDZTXOOB-CABCVRRESA-N 1 1 362.478 0.646 20 30 FCEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCc2c[nH]nn2)C1 ZINC001575104295 1271722291 /nfs/dbraw/zinc/72/22/91/1271722291.db2.gz OYELEZRDZTXOOB-CABCVRRESA-N 1 1 362.478 0.646 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCc2c[nH]nn2)C1 ZINC001575104295 1271722294 /nfs/dbraw/zinc/72/22/94/1271722294.db2.gz OYELEZRDZTXOOB-CABCVRRESA-N 1 1 362.478 0.646 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575104995 1271722498 /nfs/dbraw/zinc/72/24/98/1271722498.db2.gz ZGAHAIPPJLHTNH-IUODEOHRSA-N 1 1 371.445 0.655 20 30 FCEDMO C=CCOCC(=O)N1CCc2sc(C[NH2+]CCc3c[nH]nn3)nc2C1 ZINC001575110660 1271723838 /nfs/dbraw/zinc/72/38/38/1271723838.db2.gz XBJQRCHCQHQKLE-UHFFFAOYSA-N 1 1 362.459 0.681 20 30 FCEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001575122018 1271731644 /nfs/dbraw/zinc/73/16/44/1271731644.db2.gz BOWDETPJIFZLML-SFHVURJKSA-N 1 1 358.490 0.963 20 30 FCEDMO CC#CCCCC(=O)N1CCC[C@H](C[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575117393 1271732428 /nfs/dbraw/zinc/73/24/28/1271732428.db2.gz MGUSDSNFAWAKEN-HZPDHXFCSA-N 1 1 374.489 0.831 20 30 FCEDMO CC#CC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001575124014 1271734760 /nfs/dbraw/zinc/73/47/60/1271734760.db2.gz ZYTGXBMJVVVVEW-UHFFFAOYSA-N 1 1 367.457 0.674 20 30 FCEDMO C[C@H](C#N)C(=O)N(Cc1c[nH]nn1)C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC001575178607 1271766493 /nfs/dbraw/zinc/76/64/93/1271766493.db2.gz PJVBNHKRQLTMPK-CZUORRHYSA-N 1 1 373.461 0.378 20 30 FCEDMO C[C@H](C(=O)NCc1cn[nH]n1)[N@@H+]1CCC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225265 1271824463 /nfs/dbraw/zinc/82/44/63/1271824463.db2.gz VRIOGRMNBSWTJS-HUUCEWRRSA-N 1 1 374.489 0.687 20 30 FCEDMO C[C@@H](C(=O)NCc1cn[nH]n1)[N@@H+]1CCC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225263 1271824580 /nfs/dbraw/zinc/82/45/80/1271824580.db2.gz VRIOGRMNBSWTJS-GJZGRUSLSA-N 1 1 374.489 0.687 20 30 FCEDMO CC(C)C#CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001575318432 1271918281 /nfs/dbraw/zinc/91/82/81/1271918281.db2.gz JLCKHAOXNQXCSJ-LSDHHAIUSA-N 1 1 374.489 0.686 20 30 FCEDMO C[C@@H](OCc1c[nH]nn1)C(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001575740742 1272411752 /nfs/dbraw/zinc/41/17/52/1272411752.db2.gz GASHHAXGPXIKLJ-WBVHZDCISA-N 1 1 353.426 0.952 20 30 FCEDMO C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H](C)OCc1c[nH]nn1 ZINC001575878593 1272543018 /nfs/dbraw/zinc/54/30/18/1272543018.db2.gz VHYZFFUFYINKSL-KBPBESRZSA-N 1 1 359.405 0.995 20 30 FCEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001576761060 1273632125 /nfs/dbraw/zinc/63/21/25/1273632125.db2.gz HOENJUFOFGPQOZ-OAHLLOKOSA-N 1 1 367.413 0.258 20 30 FCEDMO 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Cn1nnc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)n1 ZINC001088071835 842522901 /nfs/dbraw/zinc/52/29/01/842522901.db2.gz BAOMIQMUOJASSA-NEPJUHHUSA-N 1 1 357.443 0.737 20 30 FCEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC001088187781 842554500 /nfs/dbraw/zinc/55/45/00/842554500.db2.gz QBTPJAZTHSLUJD-KGLIPLIRSA-N 1 1 353.854 0.423 20 30 FCEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@@H]2C1 ZINC001088187781 842554511 /nfs/dbraw/zinc/55/45/11/842554511.db2.gz QBTPJAZTHSLUJD-KGLIPLIRSA-N 1 1 353.854 0.423 20 30 FCEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001088198889 842557799 /nfs/dbraw/zinc/55/77/99/842557799.db2.gz OEQRXQBEVOSSHF-NEPJUHHUSA-N 1 1 352.822 0.632 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001088529429 842599060 /nfs/dbraw/zinc/59/90/60/842599060.db2.gz WBRRGUHGBNCWOT-IPYPFGDCSA-N 1 1 364.471 0.904 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC001088529429 842599066 /nfs/dbraw/zinc/59/90/66/842599066.db2.gz WBRRGUHGBNCWOT-IPYPFGDCSA-N 1 1 364.471 0.904 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088529323 842599334 /nfs/dbraw/zinc/59/93/34/842599334.db2.gz QMRRGIAVYFUDLD-IPYPFGDCSA-N 1 1 364.471 0.904 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001088529323 842599341 /nfs/dbraw/zinc/59/93/41/842599341.db2.gz QMRRGIAVYFUDLD-IPYPFGDCSA-N 1 1 364.471 0.904 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001088533389 842601325 /nfs/dbraw/zinc/60/13/25/842601325.db2.gz PHAZYUZFJMDSMM-IOASZLSFSA-N 1 1 364.471 0.904 20 30 FCEDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC001088533389 842601331 /nfs/dbraw/zinc/60/13/31/842601331.db2.gz PHAZYUZFJMDSMM-IOASZLSFSA-N 1 1 364.471 0.904 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001089958710 842777646 /nfs/dbraw/zinc/77/76/46/842777646.db2.gz YIDJURKMVXASBN-ZNMIVQPWSA-N 1 1 351.447 0.050 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001089958710 842777657 /nfs/dbraw/zinc/77/76/57/842777657.db2.gz YIDJURKMVXASBN-ZNMIVQPWSA-N 1 1 351.447 0.050 20 30 FCEDMO CCC[N@@H+](C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1O ZINC001090464916 842823080 /nfs/dbraw/zinc/82/30/80/842823080.db2.gz VDHKJNJDMQLWJR-NXEZZACHSA-N 1 1 357.867 0.676 20 30 FCEDMO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O ZINC001090504163 842838010 /nfs/dbraw/zinc/83/80/10/842838010.db2.gz VCHLCZIEGBJAPI-CHWSQXEVSA-N 1 1 351.476 0.719 20 30 FCEDMO C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001091703765 843080325 /nfs/dbraw/zinc/08/03/25/843080325.db2.gz QGVRCLKLKKFHBO-OCCSQVGLSA-N 1 1 354.252 0.967 20 30 FCEDMO C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3nccn3)C[C@]2(C)C1 ZINC001091703765 843080335 /nfs/dbraw/zinc/08/03/35/843080335.db2.gz QGVRCLKLKKFHBO-OCCSQVGLSA-N 1 1 354.252 0.967 20 30 FCEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@]2(C)C1 ZINC001091795439 843100049 /nfs/dbraw/zinc/10/00/49/843100049.db2.gz XUYFQXSKIYWPTF-CJNGLKHVSA-N 1 1 353.444 0.897 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3coc(S(N)(=O)=O)c3)C[C@]2(C)C1 ZINC001091795463 843100200 /nfs/dbraw/zinc/10/02/00/843100200.db2.gz YQGCKWRVSAGFIG-CJNGLKHVSA-N 1 1 353.444 0.897 20 30 FCEDMO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@]2(C)C1 ZINC001092170096 843166465 /nfs/dbraw/zinc/16/64/65/843166465.db2.gz QVCFEGAAPIHGFH-PXAZEXFGSA-N 1 1 368.865 0.850 20 30 FCEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)C[C@]2(C)C1 ZINC001092170096 843166468 /nfs/dbraw/zinc/16/64/68/843166468.db2.gz QVCFEGAAPIHGFH-PXAZEXFGSA-N 1 1 368.865 0.850 20 30 FCEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@]2(C)C1 ZINC001092231291 843170546 /nfs/dbraw/zinc/17/05/46/843170546.db2.gz PJTIIWLJDVYBDO-PVAVHDDUSA-N 1 1 355.504 0.815 20 30 FCEDMO C=CCCC(=O)N1CCN(c2cc(C)[nH+]c(C)n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001092782368 843300043 /nfs/dbraw/zinc/30/00/43/843300043.db2.gz VVNHHFWDTPWMNC-LSDHHAIUSA-N 1 1 364.471 0.874 20 30 FCEDMO CC#CCN1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094638517 843629474 /nfs/dbraw/zinc/62/94/74/843629474.db2.gz FRRISRKFAQJBOK-YESZJQIVSA-N 1 1 367.515 0.194 20 30 FCEDMO C#CCCN1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094666001 843667351 /nfs/dbraw/zinc/66/73/51/843667351.db2.gz LQZMDEMRCJNOTL-DLBZAZTESA-N 1 1 367.515 0.051 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(=O)[nH]2)C3)C1=O ZINC001097679215 843880386 /nfs/dbraw/zinc/88/03/86/843880386.db2.gz UBXAQSAAOUWZAO-RFHZTLPTSA-N 1 1 362.455 0.971 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2csc(=O)[nH]2)C3)C1=O ZINC001097679215 843880391 /nfs/dbraw/zinc/88/03/91/843880391.db2.gz UBXAQSAAOUWZAO-RFHZTLPTSA-N 1 1 362.455 0.971 20 30 FCEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1S(N)(=O)=O)C2 ZINC001097817347 843886645 /nfs/dbraw/zinc/88/66/45/843886645.db2.gz VSQOXGKPXLBCEA-RTXFEEFZSA-N 1 1 353.448 0.358 20 30 FCEDMO C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001098478815 843923064 /nfs/dbraw/zinc/92/30/64/843923064.db2.gz FPKFTIOVVGSRFT-JKSUJKDBSA-N 1 1 353.463 0.271 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cnnn3)C2)s1 ZINC001098720992 843930407 /nfs/dbraw/zinc/93/04/07/843930407.db2.gz WJIYLFXWSJEPSL-LRDDRELGSA-N 1 1 357.443 0.777 20 30 FCEDMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2ccc(C#N)s2)C3)n1 ZINC001098976740 843952837 /nfs/dbraw/zinc/95/28/37/843952837.db2.gz TVJDOBRUQXFQJD-ZBEGNZNMSA-N 1 1 357.443 0.928 20 30 FCEDMO Cn1nnc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2ccc(C#N)s2)C3)n1 ZINC001098976740 843952843 /nfs/dbraw/zinc/95/28/43/843952843.db2.gz TVJDOBRUQXFQJD-ZBEGNZNMSA-N 1 1 357.443 0.928 20 30 FCEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001099152432 843965071 /nfs/dbraw/zinc/96/50/71/843965071.db2.gz JCEFCKOKKQCEOR-LRDDRELGSA-N 1 1 354.838 0.604 20 30 FCEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001099152432 843965073 /nfs/dbraw/zinc/96/50/73/843965073.db2.gz JCEFCKOKKQCEOR-LRDDRELGSA-N 1 1 354.838 0.604 20 30 FCEDMO C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC001099263600 843995816 /nfs/dbraw/zinc/99/58/16/843995816.db2.gz UUVBPJRWDMLEFL-UPJWGTAASA-N 1 1 358.368 0.316 20 30 FCEDMO N#CCN[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001099284154 844003318 /nfs/dbraw/zinc/00/33/18/844003318.db2.gz RJHGZDBALJDVRW-YGFYLSKRSA-N 1 1 358.364 0.352 20 30 FCEDMO C=CCOCC(=O)NCC[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001102770506 844644297 /nfs/dbraw/zinc/64/42/97/844644297.db2.gz CVJMYFMFOOQNIR-NVXWUHKLSA-N 1 1 355.479 0.416 20 30 FCEDMO C=CCOCC(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1C ZINC001102770457 844644377 /nfs/dbraw/zinc/64/43/77/844644377.db2.gz ABFNGESPSWTJIU-HZPDHXFCSA-N 1 1 353.463 0.122 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[C@](C)(O)C1CC1 ZINC001102877109 844658076 /nfs/dbraw/zinc/65/80/76/844658076.db2.gz ONDIEJMZDJHKGW-LBTNJELSSA-N 1 1 350.463 0.251 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102921533 844667063 /nfs/dbraw/zinc/66/70/63/844667063.db2.gz LTWLZKJMQDINND-OGWOLHLISA-N 1 1 351.491 0.914 20 30 FCEDMO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C#CC(C)C)C1 ZINC001102955696 844674633 /nfs/dbraw/zinc/67/46/33/844674633.db2.gz BDYKGZKKLNGIOY-HUUCEWRRSA-N 1 1 350.463 0.566 20 30 FCEDMO C#CCOCCC(=O)NCC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102973994 844675540 /nfs/dbraw/zinc/67/55/40/844675540.db2.gz LDROPPWRXGZIDA-BRWVUGGUSA-N 1 1 370.515 0.535 20 30 FCEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1CCNC(=O)C#CC1CC1 ZINC001102963130 844675645 /nfs/dbraw/zinc/67/56/45/844675645.db2.gz MSDZRFQJROREOM-HYVNUMGLSA-N 1 1 352.500 0.909 20 30 FCEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(=O)NC(C)C)C1 ZINC001103184280 844718803 /nfs/dbraw/zinc/71/88/03/844718803.db2.gz NAYSVRRWWRNWAY-IAGOWNOFSA-N 1 1 350.507 0.540 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC(F)F)C1 ZINC001103266757 844728198 /nfs/dbraw/zinc/72/81/98/844728198.db2.gz DGHLJZBCWOUTOP-MGPQQGTHSA-N 1 1 359.417 0.480 20 30 FCEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001103313788 844736490 /nfs/dbraw/zinc/73/64/90/844736490.db2.gz ZNOOBHQBFAQFMX-ZIAGYGMSSA-N 1 1 350.463 0.825 20 30 FCEDMO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001103334288 844739791 /nfs/dbraw/zinc/73/97/91/844739791.db2.gz XXMQYYNLNOGOLD-MWLCHTKSSA-N 1 1 357.256 0.807 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC(C)C)OC)C1 ZINC001103409690 844752895 /nfs/dbraw/zinc/75/28/95/844752895.db2.gz NANLWJVFGDABKL-ZACQAIPSSA-N 1 1 351.491 0.871 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2n[nH]cc2F)C1 ZINC001103413583 844753737 /nfs/dbraw/zinc/75/37/37/844753737.db2.gz QRAHFFPUZZIVJX-JHJVBQTASA-N 1 1 351.426 0.927 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001103470801 844763153 /nfs/dbraw/zinc/76/31/53/844763153.db2.gz HBXWJPQENPTROT-RBSFLKMASA-N 1 1 361.508 0.201 20 30 FCEDMO C=CCn1cc(C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)nn1 ZINC001103510000 844771286 /nfs/dbraw/zinc/77/12/86/844771286.db2.gz UBTGAEKLYGDFBJ-HUUCEWRRSA-N 1 1 351.451 0.161 20 30 FCEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)NC2=O)C1 ZINC001103542476 844776731 /nfs/dbraw/zinc/77/67/31/844776731.db2.gz OGPGGTPDUAVBPC-QLFBSQMISA-N 1 1 350.463 0.967 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001103591473 844786448 /nfs/dbraw/zinc/78/64/48/844786448.db2.gz CKIJINHZVLPKIJ-HZPDHXFCSA-N 1 1 370.515 0.678 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001103591473 844786451 /nfs/dbraw/zinc/78/64/51/844786451.db2.gz CKIJINHZVLPKIJ-HZPDHXFCSA-N 1 1 370.515 0.678 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001103619760 844788177 /nfs/dbraw/zinc/78/81/77/844788177.db2.gz MSXXIJNQEPGOHS-HUUCEWRRSA-N 1 1 350.463 0.969 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001103761353 844818585 /nfs/dbraw/zinc/81/85/85/844818585.db2.gz GKGHDGFURCQDDJ-HUUCEWRRSA-N 1 1 350.463 0.614 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCc2cscn2)C1 ZINC001103772856 844820105 /nfs/dbraw/zinc/82/01/05/844820105.db2.gz VGMISOMZUZUVTQ-HUUCEWRRSA-N 1 1 362.499 0.899 20 30 FCEDMO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCCN1CCN(C)CC1)C2 ZINC001276629963 861505108 /nfs/dbraw/zinc/50/51/08/861505108.db2.gz HZKLKXSDYYZVJD-IBGZPJMESA-N 1 1 350.507 0.361 20 30 FCEDMO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CCN(C)CC1)C2 ZINC001276629963 861505122 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C=CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001107951251 845418087 /nfs/dbraw/zinc/41/80/87/845418087.db2.gz KQSWBDGYGWBSJW-RKVPGOIHSA-N 1 1 353.463 0.311 20 30 FCEDMO C=CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001107951251 845418090 /nfs/dbraw/zinc/41/80/90/845418090.db2.gz KQSWBDGYGWBSJW-RKVPGOIHSA-N 1 1 353.463 0.311 20 30 FCEDMO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCCOC ZINC001109171370 845583501 /nfs/dbraw/zinc/58/35/01/845583501.db2.gz OIOBZSZHWRDDIR-OWSLCNJRSA-N 1 1 352.475 0.925 20 30 FCEDMO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001109257997 845607954 /nfs/dbraw/zinc/60/79/54/845607954.db2.gz WVGNBNDFJIRBKY-IKGGRYGDSA-N 1 1 350.484 0.946 20 30 FCEDMO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001109257997 845607959 /nfs/dbraw/zinc/60/79/59/845607959.db2.gz WVGNBNDFJIRBKY-IKGGRYGDSA-N 1 1 350.484 0.946 20 30 FCEDMO 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C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnccn2)n[nH]1 ZINC001130177839 1201523134 /nfs/dbraw/zinc/52/31/34/1201523134.db2.gz XAVKIAPWVKXQGP-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cncnc2C)n1 ZINC001130186802 1201527383 /nfs/dbraw/zinc/52/73/83/1201527383.db2.gz MHGOJKNMUVWIIY-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cncnc2C)n[nH]1 ZINC001130186802 1201527385 /nfs/dbraw/zinc/52/73/85/1201527385.db2.gz MHGOJKNMUVWIIY-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncoc2C)n1 ZINC001130190948 1201530100 /nfs/dbraw/zinc/53/01/00/1201530100.db2.gz WBEMKQLDVMJNLF-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncoc2C)n[nH]1 ZINC001130190948 1201530103 /nfs/dbraw/zinc/53/01/03/1201530103.db2.gz WBEMKQLDVMJNLF-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C=CCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]C[C@H]2CCOC2)n[nH]1 ZINC001130193183 1201530184 /nfs/dbraw/zinc/53/01/84/1201530184.db2.gz LURRFBCPBXTDGV-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]C[C@H]2CCOC2)n1 ZINC001130193183 1201530187 /nfs/dbraw/zinc/53/01/87/1201530187.db2.gz LURRFBCPBXTDGV-ILXRZTDVSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oc(C)nc2C)n1 ZINC001130196271 1201534099 /nfs/dbraw/zinc/53/40/99/1201534099.db2.gz ZPGJPUPFFHDSCP-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2oc(C)nc2C)n[nH]1 ZINC001130196271 1201534103 /nfs/dbraw/zinc/53/41/03/1201534103.db2.gz ZPGJPUPFFHDSCP-STQMWFEESA-N 1 1 360.418 0.988 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(=O)C(C)(C)C)n1 ZINC001130198671 1201535204 /nfs/dbraw/zinc/53/52/04/1201535204.db2.gz URJMOHJQDQVZFI-STQMWFEESA-N 1 1 361.446 0.522 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C(=O)C(C)(C)C)n[nH]1 ZINC001130198671 1201535206 /nfs/dbraw/zinc/53/52/06/1201535206.db2.gz URJMOHJQDQVZFI-STQMWFEESA-N 1 1 361.446 0.522 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cccn2)n1 ZINC001130183257 1201535921 /nfs/dbraw/zinc/53/59/21/1201535921.db2.gz YYRSUJLJLGEAQW-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2cccn2)n[nH]1 ZINC001130183257 1201535924 /nfs/dbraw/zinc/53/59/24/1201535924.db2.gz YYRSUJLJLGEAQW-KBPBESRZSA-N 1 1 359.434 0.356 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2CC)[nH]1 ZINC001130204923 1201540558 /nfs/dbraw/zinc/54/05/58/1201540558.db2.gz MWWMVTPFKODHJX-JSGCOSHPSA-N 1 1 357.418 0.046 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2CC)n[nH]1 ZINC001130204923 1201540561 /nfs/dbraw/zinc/54/05/61/1201540561.db2.gz MWWMVTPFKODHJX-JSGCOSHPSA-N 1 1 357.418 0.046 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]cc2C)n1 ZINC001130209497 1201542622 /nfs/dbraw/zinc/54/26/22/1201542622.db2.gz CUAAEUXPMZOGFB-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]cc2C)n[nH]1 ZINC001130209497 1201542625 /nfs/dbraw/zinc/54/26/25/1201542625.db2.gz CUAAEUXPMZOGFB-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccc(C)n2)[nH]1 ZINC001130209491 1201543208 /nfs/dbraw/zinc/54/32/08/1201543208.db2.gz COXRNZYBGCQLHY-KBPBESRZSA-N 1 1 369.429 0.319 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n[nH]1 ZINC001130209450 1201543479 /nfs/dbraw/zinc/54/34/79/1201543479.db2.gz ATDODFOUQWWXNX-SUNYJGFJSA-N 1 1 363.462 0.620 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC2CC2)n1 ZINC001130209450 1201543485 /nfs/dbraw/zinc/54/34/85/1201543485.db2.gz ATDODFOUQWWXNX-SUNYJGFJSA-N 1 1 363.462 0.620 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(COCC)CC2)[nH]1 ZINC001130220524 1201544098 /nfs/dbraw/zinc/54/40/98/1201544098.db2.gz BKDMNQLALBJDQA-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2n[nH]cc2C)n1 ZINC001130210119 1201544292 /nfs/dbraw/zinc/54/42/92/1201544292.db2.gz XNGWVQQJXMPPAY-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2n[nH]cc2C)n[nH]1 ZINC001130210119 1201544297 /nfs/dbraw/zinc/54/42/97/1201544297.db2.gz XNGWVQQJXMPPAY-STQMWFEESA-N 1 1 357.418 0.252 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC2)[nH]1 ZINC001130216367 1201546881 /nfs/dbraw/zinc/54/68/81/1201546881.db2.gz UXDRMIOSTPIZAT-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@@H](C)CC)[nH]1 ZINC001130200362 1201547791 /nfs/dbraw/zinc/54/77/91/1201547791.db2.gz JRWMSTVQHLCDHF-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CO[C@@H](C)CC)n1 ZINC001130200488 1201547920 /nfs/dbraw/zinc/54/79/20/1201547920.db2.gz KZTCHMDDIQUDIQ-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CO[C@@H](C)CC)n[nH]1 ZINC001130200488 1201547924 /nfs/dbraw/zinc/54/79/24/1201547924.db2.gz KZTCHMDDIQUDIQ-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)ncn2)n1 ZINC001130200160 1201548109 /nfs/dbraw/zinc/54/81/09/1201548109.db2.gz CASCEXLXLGEMPR-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)ncn2)n[nH]1 ZINC001130200160 1201548111 /nfs/dbraw/zinc/54/81/11/1201548111.db2.gz CASCEXLXLGEMPR-ZFWWWQNUSA-N 1 1 371.445 0.871 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)n2C)[nH]1 ZINC001130232721 1201558178 /nfs/dbraw/zinc/55/81/78/1201558178.db2.gz PAKZJXULKCNHLY-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C=C[C@@H](CC)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130233056 1201558412 /nfs/dbraw/zinc/55/84/12/1201558412.db2.gz WURPHOAOXRETPY-KKUMJFAQSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C[C@@H](CC)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130233056 1201558413 /nfs/dbraw/zinc/55/84/13/1201558413.db2.gz WURPHOAOXRETPY-KKUMJFAQSA-N 1 1 365.478 0.868 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2C)[nH]1 ZINC001130232516 1201558443 /nfs/dbraw/zinc/55/84/43/1201558443.db2.gz JORSUKOAENVSRQ-GJZGRUSLSA-N 1 1 356.430 0.477 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)c2C)n[nH]1 ZINC001130232516 1201558446 /nfs/dbraw/zinc/55/84/46/1201558446.db2.gz JORSUKOAENVSRQ-GJZGRUSLSA-N 1 1 356.430 0.477 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2OC)[nH]1 ZINC001130234788 1201558941 /nfs/dbraw/zinc/55/89/41/1201558941.db2.gz LXRCIGMDNWWTHA-JSGCOSHPSA-N 1 1 370.413 0.234 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2OC)n[nH]1 ZINC001130234788 1201558944 /nfs/dbraw/zinc/55/89/44/1201558944.db2.gz LXRCIGMDNWWTHA-JSGCOSHPSA-N 1 1 370.413 0.234 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)c2cncnc2)n1 ZINC001130235078 1201559332 /nfs/dbraw/zinc/55/93/32/1201559332.db2.gz SXOAOEWNCMAEMM-QEJZJMRPSA-N 1 1 371.445 0.663 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)c2cncnc2)n[nH]1 ZINC001130235078 1201559337 /nfs/dbraw/zinc/55/93/37/1201559337.db2.gz SXOAOEWNCMAEMM-QEJZJMRPSA-N 1 1 371.445 0.663 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2CC)[nH]1 ZINC001130237928 1201560207 /nfs/dbraw/zinc/56/02/07/1201560207.db2.gz KEAPIFNEWDLJBQ-HOCLYGCPSA-N 1 1 370.457 0.731 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(C)c2CC)n[nH]1 ZINC001130237928 1201560213 /nfs/dbraw/zinc/56/02/13/1201560213.db2.gz KEAPIFNEWDLJBQ-HOCLYGCPSA-N 1 1 370.457 0.731 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccco2)[nH]1 ZINC001130238006 1201560329 /nfs/dbraw/zinc/56/03/29/1201560329.db2.gz NZHRGSORXLWCSN-IPYPFGDCSA-N 1 1 357.414 0.913 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnoc2CC)n1 ZINC001130242168 1201562984 /nfs/dbraw/zinc/56/29/84/1201562984.db2.gz JXUUEMMLAYNKIO-FZMZJTMJSA-N 1 1 360.418 0.933 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnoc2CC)n[nH]1 ZINC001130242168 1201562989 /nfs/dbraw/zinc/56/29/89/1201562989.db2.gz JXUUEMMLAYNKIO-FZMZJTMJSA-N 1 1 360.418 0.933 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@]2(C)CCOC2)n1 ZINC001130245189 1201565567 /nfs/dbraw/zinc/56/55/67/1201565567.db2.gz VAMPIKBKWYOVNX-DEYYWGMASA-N 1 1 363.462 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@]2(C)CCOC2)n[nH]1 ZINC001130245189 1201565572 /nfs/dbraw/zinc/56/55/72/1201565572.db2.gz VAMPIKBKWYOVNX-DEYYWGMASA-N 1 1 363.462 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccn2)n1 ZINC001130247061 1201567515 /nfs/dbraw/zinc/56/75/15/1201567515.db2.gz SFJOOADIHNYIJB-KBPBESRZSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccn2)n[nH]1 ZINC001130247061 1201567518 /nfs/dbraw/zinc/56/75/18/1201567518.db2.gz SFJOOADIHNYIJB-KBPBESRZSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCOC2)[nH]1 ZINC001130249114 1201569267 /nfs/dbraw/zinc/56/92/67/1201569267.db2.gz KEUJLHGLKMSVFL-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CCCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130251436 1201570266 /nfs/dbraw/zinc/57/02/66/1201570266.db2.gz UOEZLLREQIQWCW-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130251436 1201570273 /nfs/dbraw/zinc/57/02/73/1201570273.db2.gz UOEZLLREQIQWCW-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncn[nH]2)CC1 ZINC001130304948 1201581008 /nfs/dbraw/zinc/58/10/08/1201581008.db2.gz GFIMCMQHVZTTTF-ZBFHGGJFSA-N 1 1 360.462 0.860 20 30 FCEDMO C=CCCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nc[nH]n2)CC1 ZINC001130304948 1201581013 /nfs/dbraw/zinc/58/10/13/1201581013.db2.gz GFIMCMQHVZTTTF-ZBFHGGJFSA-N 1 1 360.462 0.860 20 30 FCEDMO C=CCOCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001130423731 1201590054 /nfs/dbraw/zinc/59/00/54/1201590054.db2.gz VQUSNNWQFWUDDD-YUELXQCFSA-N 1 1 361.446 0.139 20 30 FCEDMO C#C[C@H](NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000805943361 1201591218 /nfs/dbraw/zinc/59/12/18/1201591218.db2.gz VBYMSVMLZJFMSC-SZMVWBNQSA-N 1 1 357.454 0.920 20 30 FCEDMO C#C[C@H](NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000805943359 1201591230 /nfs/dbraw/zinc/59/12/30/1201591230.db2.gz VBYMSVMLZJFMSC-NJAFHUGGSA-N 1 1 357.454 0.920 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cnc3ccccc32)[C@@H](O)C1 ZINC001219971692 1224707595 /nfs/dbraw/zinc/70/75/95/1224707595.db2.gz LGRLKMFXZLWLJV-AEFFLSMTSA-N 1 1 358.442 0.790 20 30 FCEDMO C=C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CCCCC(=O)OCC)C2)C1 ZINC001276810163 1224739599 /nfs/dbraw/zinc/73/95/99/1224739599.db2.gz QKSNKESCLUGMQM-VQIMIIECSA-N 1 1 368.474 0.818 20 30 FCEDMO Cn1cnc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2[NH2+]Cc2nnnn2C)c1 ZINC001130593128 1202726768 /nfs/dbraw/zinc/72/67/68/1202726768.db2.gz RBNHORLNPMPKGV-DZGCQCFKSA-N 1 1 370.461 0.077 20 30 FCEDMO CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#CCOC)C1)[NH+](C)C ZINC001130675041 1202752281 /nfs/dbraw/zinc/75/22/81/1202752281.db2.gz IZGAQDMEXKTLBI-JQHSSLGASA-N 1 1 361.490 0.294 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130689994 1202754688 /nfs/dbraw/zinc/75/46/88/1202754688.db2.gz RCGZGLXXRIANEC-QILLFSRXSA-N 1 1 354.458 0.929 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3C)n[nH]2)O1 ZINC001130762607 1202778942 /nfs/dbraw/zinc/77/89/42/1202778942.db2.gz YYVPRPOPJNGMJD-GXTWGEPZSA-N 1 1 359.434 0.854 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccn3C)n[nH]2)O1 ZINC001130762219 1202779215 /nfs/dbraw/zinc/77/92/15/1202779215.db2.gz PVCNDNDTTYUGHS-DZGCQCFKSA-N 1 1 356.430 0.906 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3C)n[nH]2)O1 ZINC001130759966 1202782293 /nfs/dbraw/zinc/78/22/93/1202782293.db2.gz SWTFXRHDLRDTTP-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[nH]2)O1 ZINC001130774722 1202782880 /nfs/dbraw/zinc/78/28/80/1202782880.db2.gz AKQCBKLZYWWJRW-JKSUJKDBSA-N 1 1 368.441 0.892 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3C)n[nH]2)O1 ZINC001130775222 1202783104 /nfs/dbraw/zinc/78/31/04/1202783104.db2.gz PPPZDQRBXRFZGU-GXTWGEPZSA-N 1 1 357.418 0.220 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(C)c3)n[nH]2)O1 ZINC001130769293 1202785954 /nfs/dbraw/zinc/78/59/54/1202785954.db2.gz BKTGMMBVIDBPPP-UONOGXRCSA-N 1 1 359.434 0.393 20 30 FCEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(N)=O)n[nH]2)O1 ZINC001130769575 1202786156 /nfs/dbraw/zinc/78/61/56/1202786156.db2.gz KLRIZVBJOVCIFH-FRRDWIJNSA-N 1 1 364.450 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C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OCC)C3CC3)n[nH]2)O1 ZINC001130785016 1202788939 /nfs/dbraw/zinc/78/89/39/1202788939.db2.gz AUTSHPRLQQVZTN-LZWOXQAQSA-N 1 1 361.446 0.679 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC#C)n[nH]2)O1 ZINC001130785130 1202789001 /nfs/dbraw/zinc/78/90/01/1202789001.db2.gz FIGAKQYYVWWXRH-QLFBSQMISA-N 1 1 359.430 0.292 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOCC#C)n[nH]2)O1 ZINC001130785507 1202789574 /nfs/dbraw/zinc/78/95/74/1202789574.db2.gz RKJWETXVLDTHOU-LSDHHAIUSA-N 1 1 359.430 0.294 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OCC)C(C)C)n[nH]2)O1 ZINC001130785425 1202789712 /nfs/dbraw/zinc/78/97/12/1202789712.db2.gz LXXCLTAPUVYTAK-SQWLQELKSA-N 1 1 363.462 0.925 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)ncn3)n[nH]2)O1 ZINC001130776569 1202790151 /nfs/dbraw/zinc/79/01/51/1202790151.db2.gz GLPWUDKMWCGYTE-GXTWGEPZSA-N 1 1 357.418 0.829 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3O)n[nH]2)O1 ZINC001130778219 1202791558 /nfs/dbraw/zinc/79/15/58/1202791558.db2.gz LNHMQVHTYCOTOR-WCQYABFASA-N 1 1 358.402 0.831 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nn3)n[nH]2)O1 ZINC001130780785 1202792528 /nfs/dbraw/zinc/79/25/28/1202792528.db2.gz CNKCIBNXIXHXNW-GXTWGEPZSA-N 1 1 357.418 0.829 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccn(C)n3)n[nH]2)O1 ZINC001130781087 1202793047 /nfs/dbraw/zinc/79/30/47/1202793047.db2.gz NULMEIJTKGMEMI-LSDHHAIUSA-N 1 1 371.445 0.230 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nn3)n[nH]2)O1 ZINC001130781123 1202793071 /nfs/dbraw/zinc/79/30/71/1202793071.db2.gz PGWOGKSRLLSALD-GXTWGEPZSA-N 1 1 355.402 0.276 20 30 FCEDMO C#CCCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000806916687 1202794312 /nfs/dbraw/zinc/79/43/12/1202794312.db2.gz VANMMOHXOAKFGW-QGZVFWFLSA-N 1 1 356.470 0.843 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cnn3C)n[nH]2)O1 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/nfs/dbraw/zinc/89/14/31/1269891431.db2.gz JBDYRSIQVHNYIN-HNNXBMFYSA-N 1 1 374.493 0.559 20 30 FCEDMO C=C(C)Cn1c(Cc2cnn(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001343787830 1270012200 /nfs/dbraw/zinc/01/22/00/1270012200.db2.gz UEJBZWGCSBDRBG-MRXNPFEDSA-N 1 1 357.462 0.699 20 30 FCEDMO C=C(C)Cn1c(Cc2cnn(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001343787830 1270012210 /nfs/dbraw/zinc/01/22/10/1270012210.db2.gz UEJBZWGCSBDRBG-MRXNPFEDSA-N 1 1 357.462 0.699 20 30 FCEDMO N#CCCCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCOC1 ZINC001344372826 1270162402 /nfs/dbraw/zinc/16/24/02/1270162402.db2.gz KIROSQUFYODSQJ-HOTGVXAUSA-N 1 1 360.462 0.682 20 30 FCEDMO N#CCCCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@H]1CCOC1 ZINC001344372826 1270162406 /nfs/dbraw/zinc/16/24/06/1270162406.db2.gz KIROSQUFYODSQJ-HOTGVXAUSA-N 1 1 360.462 0.682 20 30 FCEDMO C#CCN(CC#C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCN1CCSCC1 ZINC001574632105 1271429641 /nfs/dbraw/zinc/42/96/41/1271429641.db2.gz LBCIYHOWRFOSBM-IYBDPMFKSA-N 1 1 358.515 0.604 20 30 FCEDMO C#CCCCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)[C@H]1C ZINC001574866642 1271617836 /nfs/dbraw/zinc/61/78/36/1271617836.db2.gz HUGZWPGEWHPKDK-GDBMZVCRSA-N 1 1 360.462 0.584 20 30 FCEDMO C#CCN(C(=O)c1cnn(CCF)c1)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001574928523 1271679740 /nfs/dbraw/zinc/67/97/40/1271679740.db2.gz OQBONWZXNDMKCQ-UHFFFAOYSA-N 1 1 373.436 0.753 20 30 FCEDMO C#CCN(Cc1c[nH]nn1)c1nnc(-c2cnccn2)n1C[C@H](C)[NH+](C)C ZINC001574937897 1271683296 /nfs/dbraw/zinc/68/32/96/1271683296.db2.gz RPIZSJFCLYTYNE-ZDUSSCGKSA-N 1 1 366.433 0.443 20 30 FCEDMO C#CCN(Cc1cn[nH]n1)c1nnc(C2CCC2)n1CC[N@H+](C)CCOC ZINC001574953624 1271685095 /nfs/dbraw/zinc/68/50/95/1271685095.db2.gz BSONZUYMJQADJZ-UHFFFAOYSA-N 1 1 372.477 0.882 20 30 FCEDMO C#CCN(Cc1c[nH]nn1)c1nnc(C2CCC2)n1CC[N@@H+](C)CCOC ZINC001574953624 1271685102 /nfs/dbraw/zinc/68/51/02/1271685102.db2.gz BSONZUYMJQADJZ-UHFFFAOYSA-N 1 1 372.477 0.882 20 30 FCEDMO C#CCN(Cc1c[nH]nn1)c1nnc(C2CCC2)n1CC[N@H+](C)CCOC ZINC001574953624 1271685110 /nfs/dbraw/zinc/68/51/10/1271685110.db2.gz BSONZUYMJQADJZ-UHFFFAOYSA-N 1 1 372.477 0.882 20 30 FCEDMO C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CCCCc2cn[nH]n2)CC1 ZINC001575004798 1271689983 /nfs/dbraw/zinc/68/99/83/1271689983.db2.gz MKSVSVQPUIYKED-UHFFFAOYSA-N 1 1 360.462 0.284 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(Cc3c[nH]nn3)CCCCC2)C1 ZINC001575004281 1271691525 /nfs/dbraw/zinc/69/15/25/1271691525.db2.gz CWJIVTWEZSHYCL-GASCZTMLSA-N 1 1 372.473 0.284 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(Cc3cnn[nH]3)CCCCC2)C1 ZINC001575004281 1271691539 /nfs/dbraw/zinc/69/15/39/1271691539.db2.gz CWJIVTWEZSHYCL-GASCZTMLSA-N 1 1 372.473 0.284 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H](C[NH2+]CCc3c[nH]nn3)[C@H](OCC)C2)cn1 ZINC001575021902 1271695685 /nfs/dbraw/zinc/69/56/85/1271695685.db2.gz KRLLOFPQDXPSGI-CRAIPNDOSA-N 1 1 368.441 0.490 20 30 FCEDMO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)[C@@H](CC)C1 ZINC001575049555 1271699216 /nfs/dbraw/zinc/69/92/16/1271699216.db2.gz OGQGTTMGQXNVJZ-GOEBONIOSA-N 1 1 362.478 0.994 20 30 FCEDMO C=CCCC(=O)NC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)NCc2cn[nH]n2)C1 ZINC001575084904 1271713745 /nfs/dbraw/zinc/71/37/45/1271713745.db2.gz BYAKFQZHAICHPB-RDTXWAMCSA-N 1 1 362.478 0.994 20 30 FCEDMO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)NCc2cn[nH]n2)C1 ZINC001575084904 1271713750 /nfs/dbraw/zinc/71/37/50/1271713750.db2.gz BYAKFQZHAICHPB-RDTXWAMCSA-N 1 1 362.478 0.994 20 30 FCEDMO C=CCC[C@H](C)[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)c2nnn(C)n2)CC1 ZINC001575087720 1271715866 /nfs/dbraw/zinc/71/58/66/1271715866.db2.gz LDKKUUOTBTWFPQ-ZDUSSCGKSA-N 1 1 373.465 0.790 20 30 FCEDMO C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001575093747 1271716288 /nfs/dbraw/zinc/71/62/88/1271716288.db2.gz POIKPJMSVVECQI-KXBFYZLASA-N 1 1 374.489 0.996 20 30 FCEDMO C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1Cc1cn[nH]n1 ZINC001575097445 1271717054 /nfs/dbraw/zinc/71/70/54/1271717054.db2.gz KXIQYDNCPCYWGV-CVEARBPZSA-N 1 1 350.467 0.096 20 30 FCEDMO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575097445 1271717062 /nfs/dbraw/zinc/71/70/62/1271717062.db2.gz KXIQYDNCPCYWGV-CVEARBPZSA-N 1 1 350.467 0.096 20 30 FCEDMO C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001575097445 1271717071 /nfs/dbraw/zinc/71/70/71/1271717071.db2.gz KXIQYDNCPCYWGV-CVEARBPZSA-N 1 1 350.467 0.096 20 30 FCEDMO C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)c2ccc(-c3cn[nH]n3)cn2)C1=O ZINC001575103403 1271719941 /nfs/dbraw/zinc/71/99/41/1271719941.db2.gz BJQFKDCEUUFGED-WFASDCNBSA-N 1 1 369.429 0.362 20 30 FCEDMO C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1=O ZINC001575104404 1271721510 /nfs/dbraw/zinc/72/15/10/1271721510.db2.gz QPMAEMQDOISTHD-BBRMVZONSA-N 1 1 368.441 0.967 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001575104426 1271721718 /nfs/dbraw/zinc/72/17/18/1271721718.db2.gz QXNKLPDMFFQHJZ-OLZOCXBDSA-N 1 1 371.445 0.608 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1cncc(-c2cn[nH]n2)c1 ZINC001575104211 1271722122 /nfs/dbraw/zinc/72/21/22/1271722122.db2.gz NUSOOFDPFKZBLO-QWHCGFSZSA-N 1 1 371.445 0.655 20 30 FCEDMO C=CCNC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cn2)C1 ZINC001575105060 1271722466 /nfs/dbraw/zinc/72/24/66/1271722466.db2.gz ZTEIFRGWIHLWLL-CQSZACIVSA-N 1 1 369.429 0.363 20 30 FCEDMO C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H](C)OCc3c[nH]nn3)C2)CC1 ZINC001575109633 1271723682 /nfs/dbraw/zinc/72/36/82/1271723682.db2.gz ARBZAZUKCVLNEH-HNNXBMFYSA-N 1 1 363.462 0.837 20 30 FCEDMO C[C@H](C(=O)NCc1c[nH]nn1)[NH+]1CCC(C)(CNC(=O)C#CC2CC2)CC1 ZINC001575221652 1271808881 /nfs/dbraw/zinc/80/88/81/1271808881.db2.gz UNOZIKNPJKKUOU-CQSZACIVSA-N 1 1 372.473 0.441 20 30 FCEDMO CC[C@H](CNC(=O)CC#Cc1ccccc1)[NH2+]CC(=O)NCc1c[nH]nn1 ZINC001576241364 1273016849 /nfs/dbraw/zinc/01/68/49/1273016849.db2.gz YFDYCGPWQUCNPU-MRXNPFEDSA-N 1 1 368.441 0.347 20 30 FCEDMO CN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)CCOCc1cn[nH]n1 ZINC001576834482 1273761486 /nfs/dbraw/zinc/76/14/86/1273761486.db2.gz RMFJEGGLASHLOV-UHFFFAOYSA-N 1 1 360.393 0.970 20 30 FCEDMO N#CCNC(=O)C[N@H+](CCNC(=O)c1ccc(-c2c[nH]nn2)cc1)C1CC1 ZINC001577706645 1274767025 /nfs/dbraw/zinc/76/70/25/1274767025.db2.gz NRPKLFGNBGYCBO-UHFFFAOYSA-N 1 1 367.413 0.306 20 30 FCEDMO N#CCNC(=O)C[N@@H+](CCNC(=O)c1ccc(-c2c[nH]nn2)cc1)C1CC1 ZINC001577706645 1274767033 /nfs/dbraw/zinc/76/70/33/1274767033.db2.gz NRPKLFGNBGYCBO-UHFFFAOYSA-N 1 1 367.413 0.306 20 30 FCEDMO N#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCc1c[nH]nn1 ZINC001577706556 1274767732 /nfs/dbraw/zinc/76/77/32/1274767732.db2.gz KWGHHEYIIRANPI-HIFRSBDPSA-N 1 1 361.450 0.032 20 30 FCEDMO N#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCCc1cnn[nH]1 ZINC001577706556 1274767742 /nfs/dbraw/zinc/76/77/42/1274767742.db2.gz KWGHHEYIIRANPI-HIFRSBDPSA-N 1 1 361.450 0.032 20 30 FCEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001579939267 1277970415 /nfs/dbraw/zinc/97/04/15/1277970415.db2.gz NVIXZQPZKGNSSY-VXGBXAGGSA-N 1 1 357.418 0.971 20 30 FCEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC001579939266 1277970501 /nfs/dbraw/zinc/97/05/01/1277970501.db2.gz NVIXZQPZKGNSSY-RYUDHWBXSA-N 1 1 357.418 0.971 20 30 FCEDMO N#Cc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)[nH]1 ZINC001581868475 1280626021 /nfs/dbraw/zinc/62/60/21/1280626021.db2.gz UPPHOPNKUHJZCT-UHFFFAOYSA-N 1 1 363.385 0.814 20 30 FCEDMO N#Cc1ncc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1-c1nn[nH]n1 ZINC001581882239 1280644902 /nfs/dbraw/zinc/64/49/02/1280644902.db2.gz QKDLNVDIGIBJKS-SMDDNHRTSA-N 1 1 351.418 0.981 20 30 FCEDMO N#Cc1ncc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1nn[nH]n1 ZINC001581882239 1280644910 /nfs/dbraw/zinc/64/49/10/1280644910.db2.gz QKDLNVDIGIBJKS-SMDDNHRTSA-N 1 1 351.418 0.981 20 30 FCEDMO C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001586538430 1282302230 /nfs/dbraw/zinc/30/22/30/1282302230.db2.gz HWGAHWXXKFMGOP-SUMWQHHRSA-N 1 1 367.457 0.690 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001588351529 1282446376 /nfs/dbraw/zinc/44/63/76/1282446376.db2.gz YAKZHOJSYOSABR-HIFRSBDPSA-N 1 1 368.445 0.300 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001588351529 1282446380 /nfs/dbraw/zinc/44/63/80/1282446380.db2.gz YAKZHOJSYOSABR-HIFRSBDPSA-N 1 1 368.445 0.300 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC2(CCOCC2)C1 ZINC001588351789 1282446571 /nfs/dbraw/zinc/44/65/71/1282446571.db2.gz KGCFJDQOJIMHIX-AWEZNQCLSA-N 1 1 369.429 0.429 20 30 FCEDMO C#CCNC(=O)CC[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC001588354646 1282449854 /nfs/dbraw/zinc/44/98/54/1282449854.db2.gz UBFGOMQPOIZCSE-UHFFFAOYSA-N 1 1 353.430 0.518 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001588354987 1282450841 /nfs/dbraw/zinc/45/08/41/1282450841.db2.gz CVIZFURGBCATMA-STQMWFEESA-N 1 1 374.420 0.981 20 30 FCEDMO C#CCO[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001588355806 1282455545 /nfs/dbraw/zinc/45/55/45/1282455545.db2.gz MXLIJDPLBKWUBA-KUHUBIRLSA-N 1 1 368.441 0.986 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001588358388 1282468639 /nfs/dbraw/zinc/46/86/39/1282468639.db2.gz WNJDATIPIRNGSL-JKIFEVAISA-N 1 1 368.441 0.842 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001588360437 1282478980 /nfs/dbraw/zinc/47/89/80/1282478980.db2.gz POORILYUCZQJLQ-KEYYUXOJSA-N 1 1 368.441 0.984 20 30 FCEDMO C#CCOCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001588360991 1282480814 /nfs/dbraw/zinc/48/08/14/1282480814.db2.gz AIZCGJFETAGTMU-GFCCVEGCSA-N 1 1 362.459 0.905 20 30 FCEDMO C#CCOCC[N@@H+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001588362715 1282489411 /nfs/dbraw/zinc/48/94/11/1282489411.db2.gz RSLWQPBSMMVSPR-INIZCTEOSA-N 1 1 354.414 0.944 20 30 FCEDMO C#CCOCC[N@H+](C)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC001588362715 1282489416 /nfs/dbraw/zinc/48/94/16/1282489416.db2.gz RSLWQPBSMMVSPR-INIZCTEOSA-N 1 1 354.414 0.944 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001588380591 1282494859 /nfs/dbraw/zinc/49/48/59/1282494859.db2.gz IVIZPYXLCXFZCK-OAHLLOKOSA-N 1 1 374.408 0.989 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588503926 1282542614 /nfs/dbraw/zinc/54/26/14/1282542614.db2.gz HZHTURFYCYEIMQ-CRAIPNDOSA-N 1 1 356.430 0.884 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588503928 1282542892 /nfs/dbraw/zinc/54/28/92/1282542892.db2.gz HZHTURFYCYEIMQ-QAPCUYQASA-N 1 1 356.430 0.884 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 ZINC001588577050 1282571333 /nfs/dbraw/zinc/57/13/33/1282571333.db2.gz BCFMJTORSZTVML-KCPJHIHWSA-N 1 1 359.434 0.979 20 30 FCEDMO 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C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1C(F)(F)F ZINC001112152129 846419706 /nfs/dbraw/zinc/41/97/06/846419706.db2.gz KIPKCZJOAOGBNK-GYSYKLTISA-N 1 1 367.343 0.396 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112178122 846438654 /nfs/dbraw/zinc/43/86/54/846438654.db2.gz TVMNMGSNUHFUHQ-VXGBXAGGSA-N 1 1 354.394 0.813 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C(F)(F)F ZINC001112182248 846443327 /nfs/dbraw/zinc/44/33/27/846443327.db2.gz WYFWSOOFPXQKHW-CHWSQXEVSA-N 1 1 357.332 0.550 20 30 FCEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C(F)(F)F ZINC001112185458 846445312 /nfs/dbraw/zinc/44/53/12/846445312.db2.gz FWGKYXHIPITHLT-CHWSQXEVSA-N 1 1 361.364 0.141 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C(F)(F)F ZINC001112206589 846462222 /nfs/dbraw/zinc/46/22/22/846462222.db2.gz VSVDSXZYLFIRJY-GHMZBOCLSA-N 1 1 358.320 0.924 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001112216321 846472543 /nfs/dbraw/zinc/47/25/43/846472543.db2.gz WNGFDVLSUBZMPW-QJPTWQEYSA-N 1 1 351.369 0.693 20 30 FCEDMO CNC(=O)C(C)(C)N1C[C@@]2(CC1=O)COCC[N@@H+](CCCCC#N)C2 ZINC001276955313 861703876 /nfs/dbraw/zinc/70/38/76/861703876.db2.gz IBVAUMFBGKFZRN-SFHVURJKSA-N 1 1 350.463 0.756 20 30 FCEDMO C#CCSCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001117411949 847006717 /nfs/dbraw/zinc/00/67/17/847006717.db2.gz GADREMHKNVKZBH-AWEZNQCLSA-N 1 1 353.488 0.181 20 30 FCEDMO C=CCn1cc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)nn1 ZINC001118109931 847284070 /nfs/dbraw/zinc/28/40/70/847284070.db2.gz NTASAJKJDYUYLZ-AWEZNQCLSA-N 1 1 362.459 0.561 20 30 FCEDMO C=CCN(C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H](C)COC ZINC001118581861 847486137 /nfs/dbraw/zinc/48/61/37/847486137.db2.gz PUBLBLPDSQSPDT-CVEARBPZSA-N 1 1 355.479 0.509 20 30 FCEDMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2nc(Cl)c(C#N)s2)CC[N@H+]1C ZINC001122752764 848536736 /nfs/dbraw/zinc/53/67/36/848536736.db2.gz RTTMRJPTINGQIP-OPRDCNLKSA-N 1 1 357.867 0.897 20 30 FCEDMO C[C@@H]1[C@H](C(=O)NC[C@@H](CO)Nc2nc(Cl)c(C#N)s2)CC[N@H+]1C ZINC001122752763 848536790 /nfs/dbraw/zinc/53/67/90/848536790.db2.gz RTTMRJPTINGQIP-KXUCPTDWSA-N 1 1 357.867 0.897 20 30 FCEDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC001123990390 848664767 /nfs/dbraw/zinc/66/47/67/848664767.db2.gz BMQLXGRZPHBRFS-UHFFFAOYSA-N 1 1 365.231 0.825 20 30 FCEDMO CCOCCC[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1 ZINC001128730022 848761305 /nfs/dbraw/zinc/76/13/05/848761305.db2.gz CMFHRHRGDDYONC-KGLIPLIRSA-N 1 1 352.464 0.303 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](n2ccnn2)C1 ZINC001129418032 848842629 /nfs/dbraw/zinc/84/26/29/848842629.db2.gz PKXFRMSHNUKNKQ-OLZOCXBDSA-N 1 1 360.443 0.297 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2cccs2)[C@@H](n2ccnn2)C1 ZINC001129418032 848842638 /nfs/dbraw/zinc/84/26/38/848842638.db2.gz PKXFRMSHNUKNKQ-OLZOCXBDSA-N 1 1 360.443 0.297 20 30 FCEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](n2ccnn2)C1 ZINC001129465907 848848344 /nfs/dbraw/zinc/84/83/44/848848344.db2.gz TYXWQHWYIDXMDZ-CVEARBPZSA-N 1 1 351.451 0.639 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129482330 848852105 /nfs/dbraw/zinc/85/21/05/848852105.db2.gz UBIUXQGUSRYKNP-OAGGEKHMSA-N 1 1 351.451 0.636 20 30 FCEDMO C=CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CCOC(C)C)C[C@@H]1n1ccnn1 ZINC001129482330 848852109 /nfs/dbraw/zinc/85/21/09/848852109.db2.gz UBIUXQGUSRYKNP-OAGGEKHMSA-N 1 1 351.451 0.636 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001129829455 848900514 /nfs/dbraw/zinc/90/05/14/848900514.db2.gz IEKNJCACJTUIIL-YUELXQCFSA-N 1 1 360.443 0.315 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129878981 848906374 /nfs/dbraw/zinc/90/63/74/848906374.db2.gz MJUAVTGLEZMXRP-XHSDSOJGSA-N 1 1 352.458 0.876 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129887528 848907847 /nfs/dbraw/zinc/90/78/47/848907847.db2.gz DFLFKLFDKLVNSY-KGLIPLIRSA-N 1 1 366.853 0.241 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC(=O)NCC)C[C@@H]1n1ccnn1 ZINC001130091274 848943349 /nfs/dbraw/zinc/94/33/49/848943349.db2.gz JDKAXDLOMZWKNH-KGLIPLIRSA-N 1 1 368.869 0.679 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)OCCOCC)C[C@@H]1n1ccnn1 ZINC001130134079 848950515 /nfs/dbraw/zinc/95/05/15/848950515.db2.gz RHYBOSJRZNVTND-KFWWJZLASA-N 1 1 371.869 0.814 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCC)n1 ZINC001130187711 848966516 /nfs/dbraw/zinc/96/65/16/848966516.db2.gz FLJKKUQGOFVXJB-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC)n[nH]1 ZINC001130187711 848966523 /nfs/dbraw/zinc/96/65/23/848966523.db2.gz FLJKKUQGOFVXJB-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CC)OC)n1 ZINC001130193366 848970411 /nfs/dbraw/zinc/97/04/11/848970411.db2.gz UULYGKHKEFFEQC-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)OC)n[nH]1 ZINC001130193366 848970416 /nfs/dbraw/zinc/97/04/16/848970416.db2.gz UULYGKHKEFFEQC-IHRRRGAJSA-N 1 1 351.451 0.884 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCOCC)n1 ZINC001130193149 848970491 /nfs/dbraw/zinc/97/04/91/848970491.db2.gz KLVWZNXXHCVMND-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOCC)n[nH]1 ZINC001130193149 848970496 /nfs/dbraw/zinc/97/04/96/848970496.db2.gz KLVWZNXXHCVMND-KBPBESRZSA-N 1 1 351.451 0.886 20 30 FCEDMO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1 ZINC001130203008 848974338 /nfs/dbraw/zinc/97/43/38/848974338.db2.gz PLLUOWMJUOOHRU-USWWRNFRSA-N 1 1 352.826 0.795 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](O)C(C)C)n1 ZINC001130209652 848975967 /nfs/dbraw/zinc/97/59/67/848975967.db2.gz JKFIOPHHAFAQTB-KCQAQPDRSA-N 1 1 351.451 0.476 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](O)C(C)C)n[nH]1 ZINC001130209652 848975975 /nfs/dbraw/zinc/97/59/75/848975975.db2.gz JKFIOPHHAFAQTB-KCQAQPDRSA-N 1 1 351.451 0.476 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(C)(C)O)n1 ZINC001130209662 848976352 /nfs/dbraw/zinc/97/63/52/848976352.db2.gz JOSXGWHMYJLHON-STQMWFEESA-N 1 1 351.451 0.620 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(C)(C)O)n[nH]1 ZINC001130209662 848976361 /nfs/dbraw/zinc/97/63/61/848976361.db2.gz JOSXGWHMYJLHON-STQMWFEESA-N 1 1 351.451 0.620 20 30 FCEDMO C=C(C)CCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130215913 848977796 /nfs/dbraw/zinc/97/77/96/848977796.db2.gz HTTUPKAJBVQTEB-KBPBESRZSA-N 1 1 351.451 0.622 20 30 FCEDMO C=C(C)CCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130215913 848977798 /nfs/dbraw/zinc/97/77/98/848977798.db2.gz HTTUPKAJBVQTEB-KBPBESRZSA-N 1 1 351.451 0.622 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CC(F)F)[nH]1 ZINC001130224986 848980550 /nfs/dbraw/zinc/98/05/50/848980550.db2.gz LSKGHWIMPGBDJJ-SRVKXCTJSA-N 1 1 355.389 0.808 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2csnn2)n1 ZINC001130225147 848980970 /nfs/dbraw/zinc/98/09/70/848980970.db2.gz VACRIRAYGFEMIV-JQWIXIFHSA-N 1 1 361.431 0.072 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2csnn2)n[nH]1 ZINC001130225147 848980972 /nfs/dbraw/zinc/98/09/72/848980972.db2.gz VACRIRAYGFEMIV-JQWIXIFHSA-N 1 1 361.431 0.072 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](F)C(C)C)n1 ZINC001130227956 848982388 /nfs/dbraw/zinc/98/23/88/848982388.db2.gz XIQCWVGQMCLKLZ-KCQAQPDRSA-N 1 1 351.426 0.900 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](F)C(C)C)n[nH]1 ZINC001130227956 848982394 /nfs/dbraw/zinc/98/23/94/848982394.db2.gz XIQCWVGQMCLKLZ-KCQAQPDRSA-N 1 1 351.426 0.900 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H](C)COC)n1 ZINC001130247042 848986240 /nfs/dbraw/zinc/98/62/40/848986240.db2.gz RLPPEWPJVZIJHT-IHRRRGAJSA-N 1 1 351.451 0.742 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H](C)COC)n[nH]1 ZINC001130247042 848986249 /nfs/dbraw/zinc/98/62/49/848986249.db2.gz RLPPEWPJVZIJHT-IHRRRGAJSA-N 1 1 351.451 0.742 20 30 FCEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CS(=O)(=O)CC)CC1 ZINC001130307235 848999130 /nfs/dbraw/zinc/99/91/30/848999130.db2.gz LJWSHOYBOYDREV-PBHICJAKSA-N 1 1 371.503 0.083 20 30 FCEDMO C=CC(C)(C)CC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130787412 849042917 /nfs/dbraw/zinc/04/29/17/849042917.db2.gz PKFMISFZLKLECS-QWHCGFSZSA-N 1 1 351.451 0.825 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCOC)CC1 ZINC001131383698 849097749 /nfs/dbraw/zinc/09/77/49/849097749.db2.gz WDWPZNOTPWQAQG-CVEARBPZSA-N 1 1 353.463 0.265 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCCOC)CC1 ZINC001131383698 849097755 /nfs/dbraw/zinc/09/77/55/849097755.db2.gz WDWPZNOTPWQAQG-CVEARBPZSA-N 1 1 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ZINC000609281999 492202916 /nfs/dbraw/zinc/20/29/16/492202916.db2.gz JHTINRADDCNBQA-CABCVRRESA-N 1 1 363.487 0.971 20 30 FCEDMO C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)CCCC#N)cc2)CC1 ZINC000609541743 492212824 /nfs/dbraw/zinc/21/28/24/492212824.db2.gz OSLZKLCWGOXZHX-UHFFFAOYSA-N 1 1 364.471 0.797 20 30 FCEDMO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000599958125 492222667 /nfs/dbraw/zinc/22/26/67/492222667.db2.gz ZDFLDBNJDZMWFN-UHFFFAOYSA-N 1 1 357.458 0.446 20 30 FCEDMO C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000619066848 492249266 /nfs/dbraw/zinc/24/92/66/492249266.db2.gz NPURCWFQJASOGK-TZMCWYRMSA-N 1 1 361.446 0.889 20 30 FCEDMO C[C@@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000619066848 492249267 /nfs/dbraw/zinc/24/92/67/492249267.db2.gz NPURCWFQJASOGK-TZMCWYRMSA-N 1 1 361.446 0.889 20 30 FCEDMO N#Cc1ccc(N2CCC[C@H]2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000600234503 492252507 /nfs/dbraw/zinc/25/25/07/492252507.db2.gz NVOOQPMEVQFETK-ROUUACIJSA-N 1 1 369.469 0.983 20 30 FCEDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610989154 492273589 /nfs/dbraw/zinc/27/35/89/492273589.db2.gz MXKIIUNJDVGNQU-HOTGVXAUSA-N 1 1 367.471 0.506 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@@H]1O ZINC000611432856 492288021 /nfs/dbraw/zinc/28/80/21/492288021.db2.gz CAORDAHIQLLABB-OLMNPRSZSA-N 1 1 360.433 0.847 20 30 FCEDMO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000634336661 492338024 /nfs/dbraw/zinc/33/80/24/492338024.db2.gz JBWLQCKOCCCIBK-MRXNPFEDSA-N 1 1 357.462 0.997 20 30 FCEDMO C=CCn1c(COCCOC)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000634338897 492338823 /nfs/dbraw/zinc/33/88/23/492338823.db2.gz QKYYDTQRUWEETP-HNNXBMFYSA-N 1 1 351.451 0.538 20 30 FCEDMO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000656358254 492611341 /nfs/dbraw/zinc/61/13/41/492611341.db2.gz PZEQQBIOVRCWOQ-PMPSAXMXSA-N 1 1 362.474 0.365 20 30 FCEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)c(OC)c1 ZINC000639852561 493057286 /nfs/dbraw/zinc/05/72/86/493057286.db2.gz BHVQJKOTXRLUSD-FCEWJHQRSA-N 1 1 351.443 0.981 20 30 FCEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000668522372 493370409 /nfs/dbraw/zinc/37/04/09/493370409.db2.gz UFPKOZOGBDMQTI-CQSZACIVSA-N 1 1 350.463 0.128 20 30 FCEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000661380610 493432014 /nfs/dbraw/zinc/43/20/14/493432014.db2.gz HISPSFYGXGNWTR-LBPRGKRZSA-N 1 1 350.419 0.648 20 30 FCEDMO C=CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1 ZINC000661380610 493432017 /nfs/dbraw/zinc/43/20/17/493432017.db2.gz HISPSFYGXGNWTR-LBPRGKRZSA-N 1 1 350.419 0.648 20 30 FCEDMO C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669817802 493528287 /nfs/dbraw/zinc/52/82/87/493528287.db2.gz OCNXDRHKIDBTLT-CHWSQXEVSA-N 1 1 356.496 0.605 20 30 FCEDMO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423345878 534675189 /nfs/dbraw/zinc/67/51/89/534675189.db2.gz OGXURHZIDNCHOX-INIZCTEOSA-N 1 1 364.490 0.614 20 30 FCEDMO C[NH+]=C(NCCN1CCC[C@H](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261661513 526357146 /nfs/dbraw/zinc/35/71/46/526357146.db2.gz FXVLKWKMOKCDKQ-HNNXBMFYSA-N 1 1 361.494 0.376 20 30 FCEDMO C[NH+]=C(NC[C@H]1CN(C)CCN1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000262812115 526377329 /nfs/dbraw/zinc/37/73/29/526377329.db2.gz USDGCULIVDXMAH-SFHVURJKSA-N 1 1 362.497 0.769 20 30 FCEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000171536650 526453563 /nfs/dbraw/zinc/45/35/63/526453563.db2.gz ZDTADCXKIUCCNZ-UHFFFAOYSA-N 1 1 364.471 0.806 20 30 FCEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000078302788 527927023 /nfs/dbraw/zinc/92/70/23/527927023.db2.gz PFTJAZPBJMKLQG-IBGZPJMESA-N 1 1 363.506 0.671 20 30 FCEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000078302788 527927029 /nfs/dbraw/zinc/92/70/29/527927029.db2.gz PFTJAZPBJMKLQG-IBGZPJMESA-N 1 1 363.506 0.671 20 30 FCEDMO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000092618954 528336965 /nfs/dbraw/zinc/33/69/65/528336965.db2.gz RBXZMOVAZQWCGH-IEBWSBKVSA-N 1 1 372.517 0.977 20 30 FCEDMO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000410155918 528708595 /nfs/dbraw/zinc/70/85/95/528708595.db2.gz VRLAERJDCLMBRC-KGLIPLIRSA-N 1 1 360.480 0.282 20 30 FCEDMO C[NH+](C)Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000446814903 536001324 /nfs/dbraw/zinc/00/13/24/536001324.db2.gz NXUCNIIFWOYSJX-UHFFFAOYSA-N 1 1 359.411 0.915 20 30 FCEDMO Cc1ccc([C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000409593572 546526848 /nfs/dbraw/zinc/52/68/48/546526848.db2.gz WUAHONDTPKCJEQ-HZPDHXFCSA-N 1 1 352.460 0.657 20 30 FCEDMO C[C@@H](C(=O)Nc1cnn(CCN2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000328978675 546527890 /nfs/dbraw/zinc/52/78/90/546527890.db2.gz XCXTWVJGPSUHFS-HNNXBMFYSA-N 1 1 350.467 0.439 20 30 FCEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC000329127314 546545560 /nfs/dbraw/zinc/54/55/60/546545560.db2.gz UUQZZLPGFAVVNM-IXDOHACOSA-N 1 1 354.495 0.806 20 30 FCEDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000329440137 546555624 /nfs/dbraw/zinc/55/56/24/546555624.db2.gz KUPMFBUIUHQPAU-UKRRQHHQSA-N 1 1 366.487 0.655 20 30 FCEDMO N#CC[C@@]1(O)CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000592149187 546610855 /nfs/dbraw/zinc/61/08/55/546610855.db2.gz KITWZAWINVYPHV-OAHLLOKOSA-N 1 1 352.416 0.013 20 30 FCEDMO CCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000592831484 546958634 /nfs/dbraw/zinc/95/86/34/546958634.db2.gz NBKQQKOUVRRMOZ-OAHLLOKOSA-N 1 1 364.471 0.779 20 30 FCEDMO COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000551551754 547152350 /nfs/dbraw/zinc/15/23/50/547152350.db2.gz MTVXVNHYLSJNDP-CVEARBPZSA-N 1 1 368.459 0.357 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCS(C)(=O)=O)CC1 ZINC000948785154 674386166 /nfs/dbraw/zinc/38/61/66/674386166.db2.gz BRXHGKRAWFEAPG-XHSDSOJGSA-N 1 1 358.504 0.935 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCS(C)(=O)=O)CC1 ZINC000948785154 674386171 /nfs/dbraw/zinc/38/61/71/674386171.db2.gz BRXHGKRAWFEAPG-XHSDSOJGSA-N 1 1 358.504 0.935 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735382026 598765020 /nfs/dbraw/zinc/76/50/20/598765020.db2.gz USYRGYGHUNGBJO-ZDUSSCGKSA-N 1 1 354.414 0.848 20 30 FCEDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)c1ccc(C#N)cc1 ZINC000825934727 608035976 /nfs/dbraw/zinc/03/59/76/608035976.db2.gz QWSQDKNQYJHQOR-AWEZNQCLSA-N 1 1 367.417 0.642 20 30 FCEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1ccccc1-c1nn[nH]n1 ZINC000825938434 608037506 /nfs/dbraw/zinc/03/75/06/608037506.db2.gz TVWQAICGCKMBKF-UHFFFAOYSA-N 1 1 367.417 0.987 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000730105384 665852127 /nfs/dbraw/zinc/85/21/27/665852127.db2.gz HCWKVFFLVULVNB-WFASDCNBSA-N 1 1 358.364 0.774 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000730105384 665852129 /nfs/dbraw/zinc/85/21/29/665852129.db2.gz HCWKVFFLVULVNB-WFASDCNBSA-N 1 1 358.364 0.774 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001020726486 663222590 /nfs/dbraw/zinc/22/25/90/663222590.db2.gz NIIBLMNZKWPNGO-QCQGSNGOSA-N 1 1 350.419 0.934 20 30 FCEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000972315533 663517522 /nfs/dbraw/zinc/51/75/22/663517522.db2.gz BPOKJUORABTZJM-BYCMXARLSA-N 1 1 362.455 0.685 20 30 FCEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001023504061 663636127 /nfs/dbraw/zinc/63/61/27/663636127.db2.gz YWSXJEFMGUNGCM-KURKYZTESA-N 1 1 351.491 0.880 20 30 FCEDMO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCN(C)CC2)CC1 ZINC000303969268 674573990 /nfs/dbraw/zinc/57/39/90/674573990.db2.gz BPUWRTFPBSWSEQ-CQSZACIVSA-N 1 1 354.499 0.148 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001025504171 664128708 /nfs/dbraw/zinc/12/87/08/664128708.db2.gz CXJBCKHPAHLBCR-HZSPNIEDSA-N 1 1 364.833 0.067 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001025504171 664128710 /nfs/dbraw/zinc/12/87/10/664128710.db2.gz CXJBCKHPAHLBCR-HZSPNIEDSA-N 1 1 364.833 0.067 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000973987351 664217513 /nfs/dbraw/zinc/21/75/13/664217513.db2.gz CUGWXAPXDBOZDI-DGADGQDISA-N 1 1 351.447 0.062 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000973987351 664217514 /nfs/dbraw/zinc/21/75/14/664217514.db2.gz CUGWXAPXDBOZDI-DGADGQDISA-N 1 1 351.447 0.062 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2csnn2)C1 ZINC000981625930 664833756 /nfs/dbraw/zinc/83/37/56/664833756.db2.gz VQDLELAQXPBMME-GUTXKFCHSA-N 1 1 361.471 0.650 20 30 FCEDMO 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FCEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129481184 1201323905 /nfs/dbraw/zinc/32/39/05/1201323905.db2.gz IHEWFGQAIVKYBX-UAGQMJEPSA-N 1 1 363.462 0.637 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129481184 1201323913 /nfs/dbraw/zinc/32/39/13/1201323913.db2.gz IHEWFGQAIVKYBX-UAGQMJEPSA-N 1 1 363.462 0.637 20 30 FCEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129496787 1201335607 /nfs/dbraw/zinc/33/56/07/1201335607.db2.gz TWCUEULPJQNFPU-ZACQAIPSSA-N 1 1 363.462 0.781 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H]([NH2+]Cc2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129681231 1201369409 /nfs/dbraw/zinc/36/94/09/1201369409.db2.gz LPJAGXUHAGTOPQ-CABCVRRESA-N 1 1 360.418 0.627 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129830267 1201403775 /nfs/dbraw/zinc/40/37/75/1201403775.db2.gz ZNTRRNKCCUADGM-BMFZPTHFSA-N 1 1 358.402 0.155 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3c[nH]nc32)C[C@@H]1n1ccnn1 ZINC001129857642 1201406324 /nfs/dbraw/zinc/40/63/24/1201406324.db2.gz AYJWKZKMAWPYMU-XHSDSOJGSA-N 1 1 353.430 0.486 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001129887956 1201414434 /nfs/dbraw/zinc/41/44/34/1201414434.db2.gz YTZFEHZJMFFTMA-CVEARBPZSA-N 1 1 359.434 0.178 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129890426 1201414638 /nfs/dbraw/zinc/41/46/38/1201414638.db2.gz HWIWIXZJSVONJB-NEPJUHHUSA-N 1 1 367.335 0.699 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001129918559 1201441079 /nfs/dbraw/zinc/44/10/79/1201441079.db2.gz DKPDJAPUPIJZSC-QGTPRVQTSA-N 1 1 367.457 0.480 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C[C@@H]1n1ccnn1 ZINC001130083930 1201493322 /nfs/dbraw/zinc/49/33/22/1201493322.db2.gz QNMUSYJFJOALMV-WQVCFCJDSA-N 1 1 356.434 0.119 20 30 FCEDMO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001130083930 1201493326 /nfs/dbraw/zinc/49/33/26/1201493326.db2.gz QNMUSYJFJOALMV-WQVCFCJDSA-N 1 1 356.434 0.119 20 30 FCEDMO C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ocnc2C)[C@@H](n2ccnn2)C1 ZINC001130151433 1201517071 /nfs/dbraw/zinc/51/70/71/1201517071.db2.gz QUQNEFJJTBFUSL-CABCVRRESA-N 1 1 360.418 0.709 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](CC)OCC)n1 ZINC001130190886 1201530645 /nfs/dbraw/zinc/53/06/45/1201530645.db2.gz RQWSHYOLNKSPRW-ZNMIVQPWSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](CC)OCC)n[nH]1 ZINC001130190886 1201530648 /nfs/dbraw/zinc/53/06/48/1201530648.db2.gz RQWSHYOLNKSPRW-ZNMIVQPWSA-N 1 1 363.462 0.721 20 30 FCEDMO C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](CC)C(N)=O)[nH]1 ZINC001130193389 1201531286 /nfs/dbraw/zinc/53/12/86/1201531286.db2.gz VGZJMRIQEXJWIP-XQQFMLRXSA-N 1 1 364.450 0.113 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001130195732 1201532041 /nfs/dbraw/zinc/53/20/41/1201532041.db2.gz AACJTZUBHQCVAP-ZFWWWQNUSA-N 1 1 367.413 0.420 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC001130195732 1201532046 /nfs/dbraw/zinc/53/20/46/1201532046.db2.gz AACJTZUBHQCVAP-ZFWWWQNUSA-N 1 1 367.413 0.420 20 30 FCEDMO CCOCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)C#N)n1 ZINC001130203281 1201539229 /nfs/dbraw/zinc/53/92/29/1201539229.db2.gz WTLZPSHULLYDIZ-RDBSUJKOSA-N 1 1 364.450 0.469 20 30 FCEDMO CCOCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)C#N)n[nH]1 ZINC001130203281 1201539234 /nfs/dbraw/zinc/53/92/34/1201539234.db2.gz WTLZPSHULLYDIZ-RDBSUJKOSA-N 1 1 364.450 0.469 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)nc2)[nH]1 ZINC001130203282 1201539520 /nfs/dbraw/zinc/53/95/20/1201539520.db2.gz WUXPAJNSGTWWKW-STQMWFEESA-N 1 1 358.377 0.364 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(F)nc2)n[nH]1 ZINC001130203282 1201539524 /nfs/dbraw/zinc/53/95/24/1201539524.db2.gz WUXPAJNSGTWWKW-STQMWFEESA-N 1 1 358.377 0.364 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COC(C)(C)C)n1 ZINC001130204676 1201539822 /nfs/dbraw/zinc/53/98/22/1201539822.db2.gz DBCOHHXMSBUSTL-KBPBESRZSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COC(C)(C)C)n[nH]1 ZINC001130204676 1201539826 /nfs/dbraw/zinc/53/98/26/1201539826.db2.gz DBCOHHXMSBUSTL-KBPBESRZSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001130205168 1201540546 /nfs/dbraw/zinc/54/05/46/1201540546.db2.gz SWONERGODNEIDQ-GJZGRUSLSA-N 1 1 367.413 0.420 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001130205168 1201540551 /nfs/dbraw/zinc/54/05/51/1201540551.db2.gz SWONERGODNEIDQ-GJZGRUSLSA-N 1 1 367.413 0.420 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H](C)OC)[nH]1 ZINC001130205173 1201540925 /nfs/dbraw/zinc/54/09/25/1201540925.db2.gz TUYOCAFFDLRARP-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]ccc2C)n1 ZINC001130207742 1201541511 /nfs/dbraw/zinc/54/15/11/1201541511.db2.gz NSFSVAJBLZBTHY-KBPBESRZSA-N 1 1 356.430 0.857 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]ccc2C)n[nH]1 ZINC001130207742 1201541512 /nfs/dbraw/zinc/54/15/12/1201541512.db2.gz NSFSVAJBLZBTHY-KBPBESRZSA-N 1 1 356.430 0.857 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cncnc2)n1 ZINC001130207664 1201541527 /nfs/dbraw/zinc/54/15/27/1201541527.db2.gz LKNWLZONDAGGOZ-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cncnc2)n[nH]1 ZINC001130207664 1201541532 /nfs/dbraw/zinc/54/15/32/1201541532.db2.gz LKNWLZONDAGGOZ-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2cncnc2)n1 ZINC001130207522 1201541548 /nfs/dbraw/zinc/54/15/48/1201541548.db2.gz DVOQRDOWRCPQQT-KBPBESRZSA-N 1 1 357.418 0.102 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2cncnc2)n[nH]1 ZINC001130207522 1201541552 /nfs/dbraw/zinc/54/15/52/1201541552.db2.gz DVOQRDOWRCPQQT-KBPBESRZSA-N 1 1 357.418 0.102 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccn2CC)n1 ZINC001130207675 1201542204 /nfs/dbraw/zinc/54/22/04/1201542204.db2.gz LXJPMZMGZTXPSY-KBPBESRZSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccn2CC)n[nH]1 ZINC001130207675 1201542206 /nfs/dbraw/zinc/54/22/06/1201542206.db2.gz LXJPMZMGZTXPSY-KBPBESRZSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nccc(C)n2)n1 ZINC001130209441 1201542573 /nfs/dbraw/zinc/54/25/73/1201542573.db2.gz AAFACCCFEUCOKI-KBPBESRZSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nccc(C)n2)n[nH]1 ZINC001130209441 1201542581 /nfs/dbraw/zinc/54/25/81/1201542581.db2.gz AAFACCCFEUCOKI-KBPBESRZSA-N 1 1 369.429 0.319 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001130209733 1201543801 /nfs/dbraw/zinc/54/38/01/1201543801.db2.gz MJPSVCAWXCRXJS-NUXNZHGMSA-N 1 1 361.446 0.496 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]23C[C@H]2COC3)n[nH]1 ZINC001130209733 1201543805 /nfs/dbraw/zinc/54/38/05/1201543805.db2.gz MJPSVCAWXCRXJS-NUXNZHGMSA-N 1 1 361.446 0.496 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2C(C)C)[nH]1 ZINC001130216113 1201546750 /nfs/dbraw/zinc/54/67/50/1201546750.db2.gz MUGSMSCITOXNAT-ZFWWWQNUSA-N 1 1 371.445 0.607 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2C(C)C)n[nH]1 ZINC001130216113 1201546753 /nfs/dbraw/zinc/54/67/53/1201546753.db2.gz MUGSMSCITOXNAT-ZFWWWQNUSA-N 1 1 371.445 0.607 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2O)n1 ZINC001130202557 1201548573 /nfs/dbraw/zinc/54/85/73/1201548573.db2.gz BZAZSCBRVSBGGD-AAEUAGOBSA-N 1 1 358.402 0.483 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130202750 1201549566 /nfs/dbraw/zinc/54/95/66/1201549566.db2.gz JDFNDMRHRDVNOU-IHRRRGAJSA-N 1 1 362.434 0.245 20 30 FCEDMO C=CCOCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130202750 1201549571 /nfs/dbraw/zinc/54/95/71/1201549571.db2.gz JDFNDMRHRDVNOU-IHRRRGAJSA-N 1 1 362.434 0.245 20 30 FCEDMO C[C@H](C#N)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]Cc2cccnc2)n[nH]1 ZINC001130203006 1201549832 /nfs/dbraw/zinc/54/98/32/1201549832.db2.gz PLDBWPHTCJAXGC-SNPRPXQTSA-N 1 1 369.429 0.638 20 30 FCEDMO C[C@H](C#N)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]Cc2cccnc2)n1 ZINC001130203006 1201549834 /nfs/dbraw/zinc/54/98/34/1201549834.db2.gz PLDBWPHTCJAXGC-SNPRPXQTSA-N 1 1 369.429 0.638 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccon2)n1 ZINC001130202934 1201550110 /nfs/dbraw/zinc/55/01/10/1201550110.db2.gz OLIYOFZOSLYYOR-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccon2)n[nH]1 ZINC001130202934 1201550114 /nfs/dbraw/zinc/55/01/14/1201550114.db2.gz OLIYOFZOSLYYOR-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2)n1 ZINC001130239934 1201550203 /nfs/dbraw/zinc/55/02/03/1201550203.db2.gz DIHHODXNKTZRMI-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2)n[nH]1 ZINC001130239934 1201550205 /nfs/dbraw/zinc/55/02/05/1201550205.db2.gz DIHHODXNKTZRMI-KBPBESRZSA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C(C)(C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130225123 1201553682 /nfs/dbraw/zinc/55/36/82/1201553682.db2.gz TYVURCKUNHXJAM-KBPBESRZSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C(C)C(C)(C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130225123 1201553684 /nfs/dbraw/zinc/55/36/84/1201553684.db2.gz TYVURCKUNHXJAM-KBPBESRZSA-N 1 1 365.478 0.868 20 30 FCEDMO CC[C@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[nH]1 ZINC001130230513 1201557031 /nfs/dbraw/zinc/55/70/31/1201557031.db2.gz YFEQXYWNLXFPRQ-IHRRRGAJSA-N 1 1 367.425 0.281 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C(C)C)[nH]1 ZINC001130235064 1201559192 /nfs/dbraw/zinc/55/91/92/1201559192.db2.gz SSOZETSTMIMBFF-OFQRWUPVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C)O2)n1 ZINC001130240275 1201560390 /nfs/dbraw/zinc/56/03/90/1201560390.db2.gz LMMWTXFPBJXTDE-BARDWOONSA-N 1 1 361.446 0.474 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[C@@H](C)O2)n[nH]1 ZINC001130240275 1201560394 /nfs/dbraw/zinc/56/03/94/1201560394.db2.gz LMMWTXFPBJXTDE-BARDWOONSA-N 1 1 361.446 0.474 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2F)[nH]1 ZINC001130244228 1201563435 /nfs/dbraw/zinc/56/34/35/1201563435.db2.gz DRLGHDGVAAJWQL-AAEUAGOBSA-N 1 1 358.377 0.364 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncn2)n1 ZINC001130244135 1201563500 /nfs/dbraw/zinc/56/35/00/1201563500.db2.gz AYDOUFFMJZDEPX-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncn2)n[nH]1 ZINC001130244135 1201563502 /nfs/dbraw/zinc/56/35/02/1201563502.db2.gz AYDOUFFMJZDEPX-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2cccc2)[nH]1 ZINC001130244310 1201563635 /nfs/dbraw/zinc/56/36/35/1201563635.db2.gz GNIMIZGYIJDYPP-HOTGVXAUSA-N 1 1 370.457 0.798 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccc2F)n1 ZINC001130245214 1201565425 /nfs/dbraw/zinc/56/54/25/1201565425.db2.gz VTOSOSIHWWNBLH-AAEUAGOBSA-N 1 1 360.393 0.917 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2F)n[nH]1 ZINC001130245214 1201565430 /nfs/dbraw/zinc/56/54/30/1201565430.db2.gz VTOSOSIHWWNBLH-AAEUAGOBSA-N 1 1 360.393 0.917 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCCOC)[nH]1 ZINC001130247233 1201567536 /nfs/dbraw/zinc/56/75/36/1201567536.db2.gz ZLQKSYMARHQZML-KKUMJFAQSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)on2)[nH]1 ZINC001130247230 1201567678 /nfs/dbraw/zinc/56/76/78/1201567678.db2.gz ZJKLIXNKYNXDIY-JSGCOSHPSA-N 1 1 358.402 0.380 20 30 FCEDMO C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001130301698 1201580525 /nfs/dbraw/zinc/58/05/25/1201580525.db2.gz BDDZROPYYAWMED-YJLNNSPDSA-N 1 1 371.485 0.697 20 30 FCEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000805806518 1201586793 /nfs/dbraw/zinc/58/67/93/1201586793.db2.gz QCRDGMSRVXBRGV-FUHWJXTLSA-N 1 1 372.469 0.996 20 30 FCEDMO C=CC[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000805806517 1201587211 /nfs/dbraw/zinc/58/72/11/1201587211.db2.gz QCRDGMSRVXBRGV-AEFFLSMTSA-N 1 1 372.469 0.996 20 30 FCEDMO 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C=CCOCC[N@@H+]1C[C@@H](NC(=O)COCc2ccc(OC)cc2)[C@@H](O)C1 ZINC001219935966 1224689427 /nfs/dbraw/zinc/68/94/27/1224689427.db2.gz IUVJJXGUPABSAF-MSOLQXFVSA-N 1 1 364.442 0.576 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccnc2N2CCCC2)[C@@H](O)C1 ZINC001219955269 1224699220 /nfs/dbraw/zinc/69/92/20/1224699220.db2.gz PVYGDJMSLGCJPY-SJORKVTESA-N 1 1 360.458 0.659 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cccnc2N2CCCC2)[C@@H](O)C1 ZINC001219955269 1224699227 /nfs/dbraw/zinc/69/92/27/1224699227.db2.gz PVYGDJMSLGCJPY-SJORKVTESA-N 1 1 360.458 0.659 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2ccc(C(N)=O)cc2)[C@@H](O)C1 ZINC001220000282 1224722852 /nfs/dbraw/zinc/72/28/52/1224722852.db2.gz FOJYVCGOMHNYED-SJORKVTESA-N 1 1 361.442 0.082 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3cc(C)cnc32)[C@@H](O)C1 ZINC001220015682 1224728074 /nfs/dbraw/zinc/72/80/74/1224728074.db2.gz AXUJULFPRHVHFC-CVEARBPZSA-N 1 1 359.430 0.104 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001130578070 1202721479 /nfs/dbraw/zinc/72/14/79/1202721479.db2.gz CAUDMIQPASMLFS-GOEBONIOSA-N 1 1 355.446 0.734 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130583814 1202722864 /nfs/dbraw/zinc/72/28/64/1202722864.db2.gz SHNSLWOZWBXPGQ-GOEBONIOSA-N 1 1 355.446 0.292 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nocc2C)C1 ZINC001130592663 1202726451 /nfs/dbraw/zinc/72/64/51/1202726451.db2.gz AKCVDIUUANAEEF-RVKKMQEKSA-N 1 1 371.441 0.839 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001130596862 1202728420 /nfs/dbraw/zinc/72/84/20/1202728420.db2.gz TXOJSCVUQVCGHO-ZIFCJYIRSA-N 1 1 355.486 0.669 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3)n[nH]2)O1 ZINC001130749668 1202775448 /nfs/dbraw/zinc/77/54/48/1202775448.db2.gz LPEQDIKMUIAIQC-LSDHHAIUSA-N 1 1 354.414 0.963 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=C(C)C)n[nH]2)O1 ZINC001130753035 1202776531 /nfs/dbraw/zinc/77/65/31/1202776531.db2.gz NNZYXCUPGFTDQS-LSDHHAIUSA-N 1 1 361.446 0.847 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3COCCO3)n[nH]2)O1 ZINC001130761784 1202777959 /nfs/dbraw/zinc/77/79/59/1202777959.db2.gz GKRPLXMIUBJMFS-BFHYXJOUSA-N 1 1 365.434 0.222 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)no3)n[nH]2)O1 ZINC001130756496 1202779932 /nfs/dbraw/zinc/77/99/32/1202779932.db2.gz KIAJCZBUVLSVLQ-QWHCGFSZSA-N 1 1 358.402 0.864 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c(=O)c3)n[nH]2)O1 ZINC001130774989 1202783144 /nfs/dbraw/zinc/78/31/44/1202783144.db2.gz HRWJRYYUTQXCNJ-QWHCGFSZSA-N 1 1 358.402 0.831 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cc[nH]n3)n[nH]2)O1 ZINC001130769363 1202786017 /nfs/dbraw/zinc/78/60/17/1202786017.db2.gz GDCFLWBBQDLECY-UONOGXRCSA-N 1 1 359.434 0.773 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@@H]3CCC[N@@H+]3C)[n-]2)O1 ZINC001130772630 1202788236 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RMBRYIWFHBTZBJ-LZWOXQAQSA-N 1 1 361.446 0.679 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(N)=O)n[nH]2)O1 ZINC001130794048 1202795068 /nfs/dbraw/zinc/79/50/68/1202795068.db2.gz JWALFVNQJYCYQS-RWMBFGLXSA-N 1 1 364.450 0.318 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC(F)F)n[nH]2)O1 ZINC001130796497 1202796620 /nfs/dbraw/zinc/79/66/20/1202796620.db2.gz VCKVYPLTNOIQHR-NWDGAFQWSA-N 1 1 371.388 0.536 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3cccnc3)n[nH]2)O1 ZINC001130792440 1202800019 /nfs/dbraw/zinc/80/00/19/1202800019.db2.gz DUAQFQGZUDIJQC-JKSUJKDBSA-N 1 1 368.441 0.892 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccc(C)n3)n[nH]2)O1 ZINC001130809046 1202801586 /nfs/dbraw/zinc/80/15/86/1202801586.db2.gz DPHVYKCGFIHWRF-LSDHHAIUSA-N 1 1 371.445 0.459 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n[nH]2)O1 ZINC001130807299 1202801802 /nfs/dbraw/zinc/80/18/02/1202801802.db2.gz WHQBVQLGGBKBKR-DGADGQDISA-N 1 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1 1 360.462 0.585 20 30 FCEDMO C#CCCCCC(=O)NC1CCC([NH2+]CC(=O)NCc2c[nH]nn2)CC1 ZINC001574867241 1271619529 /nfs/dbraw/zinc/61/95/29/1271619529.db2.gz RDOWDDNDDGSSDM-UHFFFAOYSA-N 1 1 360.462 0.632 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001574986231 1271688481 /nfs/dbraw/zinc/68/84/81/1271688481.db2.gz WQZQBQRNYQVSEB-KGLIPLIRSA-N 1 1 368.441 0.660 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(Cc3c[nH]nn3)CCCCC2)C1 ZINC001575004282 1271691202 /nfs/dbraw/zinc/69/12/02/1271691202.db2.gz CWJIVTWEZSHYCL-SHTZXODSSA-N 1 1 372.473 0.284 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2(Cc3cnn[nH]3)CCCCC2)C1 ZINC001575004282 1271691209 /nfs/dbraw/zinc/69/12/09/1271691209.db2.gz CWJIVTWEZSHYCL-SHTZXODSSA-N 1 1 372.473 0.284 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1CCOC2(CC[NH+](CCc3c[nH]nn3)CC2)C1 ZINC001575013097 1271694606 /nfs/dbraw/zinc/69/46/06/1271694606.db2.gz LEGFVCFXIHWHPD-OAHLLOKOSA-N 1 1 361.446 0.079 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CCc2c[nH]nn2)C3)nc1 ZINC001575021342 1271696477 /nfs/dbraw/zinc/69/64/77/1271696477.db2.gz FKWCOBJEMYZPGE-UHFFFAOYSA-N 1 1 350.426 0.962 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@H+](CCc2cn[nH]n2)C3)nc1 ZINC001575021342 1271696484 /nfs/dbraw/zinc/69/64/84/1271696484.db2.gz FKWCOBJEMYZPGE-UHFFFAOYSA-N 1 1 350.426 0.962 20 30 FCEDMO C#Cc1ccc(C(=O)N2CC3(C2)CCC[N@@H+](CCc2cn[nH]n2)C3)nc1 ZINC001575021342 1271696488 /nfs/dbraw/zinc/69/64/88/1271696488.db2.gz FKWCOBJEMYZPGE-UHFFFAOYSA-N 1 1 350.426 0.962 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575021527 1271696528 /nfs/dbraw/zinc/69/65/28/1271696528.db2.gz HHPITBMEQJGGCS-KBPBESRZSA-N 1 1 368.441 0.541 20 30 FCEDMO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2c[nH]nn2)[C@H](CC)C1 ZINC001575049554 1271699888 /nfs/dbraw/zinc/69/98/88/1271699888.db2.gz OGQGTTMGQXNVJZ-GDBMZVCRSA-N 1 1 362.478 0.994 20 30 FCEDMO C=C[C@@H](C(=O)NCCN(C)[C@@H](C)C(=O)NCc1c[nH]nn1)c1ccccc1 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JTNQMBXMRZAIMP-GOEBONIOSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575110141 1271723187 /nfs/dbraw/zinc/72/31/87/1271723187.db2.gz JTNQMBXMRZAIMP-GOEBONIOSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)OCc2cn[nH]n2)C1 ZINC001575110140 1271723948 /nfs/dbraw/zinc/72/39/48/1271723948.db2.gz JTNQMBXMRZAIMP-GDBMZVCRSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575110140 1271723957 /nfs/dbraw/zinc/72/39/57/1271723957.db2.gz JTNQMBXMRZAIMP-GDBMZVCRSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575110140 1271723963 /nfs/dbraw/zinc/72/39/63/1271723963.db2.gz JTNQMBXMRZAIMP-GDBMZVCRSA-N 1 1 351.451 0.835 20 30 FCEDMO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCc3c[nH]nn3)C2)nn1 ZINC001575112029 1271726362 /nfs/dbraw/zinc/72/63/62/1271726362.db2.gz MMPUNMJLQOAOSP-ZIAGYGMSSA-N 1 1 358.450 0.513 20 30 FCEDMO 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MPFDNHOXLQGSDE-UHFFFAOYSA-N 1 1 371.441 0.921 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CSCC#N)CC2)O1 ZINC001066277939 837421468 /nfs/dbraw/zinc/42/14/68/837421468.db2.gz IXFKQTQZGYXVMW-QLFBSQMISA-N 1 1 368.503 0.460 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCN(C(=O)CSCC#N)CC2)O1 ZINC001066277939 837421474 /nfs/dbraw/zinc/42/14/74/837421474.db2.gz IXFKQTQZGYXVMW-QLFBSQMISA-N 1 1 368.503 0.460 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092649 837615930 /nfs/dbraw/zinc/61/59/30/837615930.db2.gz KPDKTXWAMHYCLL-KGLIPLIRSA-N 1 1 362.459 0.428 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092649 837615931 /nfs/dbraw/zinc/61/59/31/837615931.db2.gz KPDKTXWAMHYCLL-KGLIPLIRSA-N 1 1 362.459 0.428 20 30 FCEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1n1ccnn1 ZINC001070156991 837627737 /nfs/dbraw/zinc/62/77/37/837627737.db2.gz DSQXLHLMFHULTI-PWSUYJOCSA-N 1 1 367.207 0.830 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 ZINC001070196480 837632911 /nfs/dbraw/zinc/63/29/11/837632911.db2.gz ZXZVLCBCXHGUNC-ZRJCITRHSA-N 1 1 366.853 0.287 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1n1ccnn1 ZINC001070207753 837634361 /nfs/dbraw/zinc/63/43/61/837634361.db2.gz MLQNLQDNCKNAQM-CABCVRRESA-N 1 1 363.853 0.657 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1n1ccnn1 ZINC001070210370 837634720 /nfs/dbraw/zinc/63/47/20/837634720.db2.gz ACYBQXOPVWZNKH-OLZOCXBDSA-N 1 1 363.809 0.275 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@@H]1n1ccnn1 ZINC001070214196 837635089 /nfs/dbraw/zinc/63/50/89/837635089.db2.gz JRYZGNIXJZTGSP-CABCVRRESA-N 1 1 363.853 0.982 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)[C@@H](n2ccnn2)C1 ZINC001070278168 837642908 /nfs/dbraw/zinc/64/29/08/837642908.db2.gz SUNLXPJAEWJREF-KBXIAJHMSA-N 1 1 351.838 0.963 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070327947 837647064 /nfs/dbraw/zinc/64/70/64/837647064.db2.gz KZCWFWBSVQRCSD-KGLIPLIRSA-N 1 1 366.853 0.385 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C)n2cncn2)C[C@H]1c1cn(C)cn1 ZINC001070484936 837654457 /nfs/dbraw/zinc/65/44/57/837654457.db2.gz FALYKFCHCQBNBE-KCQAQPDRSA-N 1 1 363.853 0.909 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cn(C)cn1 ZINC001070485030 837654504 /nfs/dbraw/zinc/65/45/04/837654504.db2.gz JZTMZHKROAZIFV-WCQYABFASA-N 1 1 365.825 0.054 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1c1cncn1C ZINC001070641184 837664011 /nfs/dbraw/zinc/66/40/11/837664011.db2.gz XJNLJPVPWLQSLO-IIAWOOMASA-N 1 1 367.881 0.387 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1cncn1C ZINC001070643161 837664295 /nfs/dbraw/zinc/66/42/95/837664295.db2.gz OTIBRCZLRCCVJS-HUUCEWRRSA-N 1 1 365.865 0.535 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1c1cncn1C ZINC001070642134 837664434 /nfs/dbraw/zinc/66/44/34/837664434.db2.gz PUJLLBOYZGFPOW-ZIAGYGMSSA-N 1 1 363.853 0.738 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1c1cncn1C ZINC001070676874 837669989 /nfs/dbraw/zinc/66/99/89/837669989.db2.gz SKNFGEOJYFJVLQ-VXGBXAGGSA-N 1 1 364.837 0.810 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1c1cncn1C ZINC001070675868 837670011 /nfs/dbraw/zinc/67/00/11/837670011.db2.gz ZNMLXQMAQNQSFO-YNEHKIRRSA-N 1 1 351.838 0.193 20 30 FCEDMO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1cncn1C ZINC001070711666 837674932 /nfs/dbraw/zinc/67/49/32/837674932.db2.gz HIFAXDKNRUTSNF-FRRDWIJNSA-N 1 1 351.838 0.335 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(=O)N2CCC2)CCCO1 ZINC001073775579 837789742 /nfs/dbraw/zinc/78/97/42/837789742.db2.gz XHTKFBJSYAIAPC-XHSDSOJGSA-N 1 1 351.447 0.017 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCCO1 ZINC001073775579 837789764 /nfs/dbraw/zinc/78/97/64/837789764.db2.gz XHTKFBJSYAIAPC-XHSDSOJGSA-N 1 1 351.447 0.017 20 30 FCEDMO C#Cc1cncc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(N)=O)C2)c1 ZINC001099304855 844014267 /nfs/dbraw/zinc/01/42/67/844014267.db2.gz GJFWXBRYZWHRQV-OASPWFOLSA-N 1 1 354.332 0.529 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3scnc3C)C[C@]2(C)C1 ZINC001101137568 844073734 /nfs/dbraw/zinc/07/37/34/844073734.db2.gz HPQOCQOSRXOAPJ-IYOUNJFTSA-N 1 1 360.483 0.983 20 30 FCEDMO C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@@]2(C)C1 ZINC001101174066 844088595 /nfs/dbraw/zinc/08/85/95/844088595.db2.gz CSFLFVAUVBOGQN-JMSVASOKSA-N 1 1 360.380 0.947 20 30 FCEDMO C[C@H](C#N)C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@@]2(C)C1 ZINC001101174066 844088599 /nfs/dbraw/zinc/08/85/99/844088599.db2.gz CSFLFVAUVBOGQN-JMSVASOKSA-N 1 1 360.380 0.947 20 30 FCEDMO C#CCNC(=O)CC(=O)N1C[C@H]2C[N@H+](Cc3scnc3C)C[C@@]2(C)C1 ZINC001101207508 844103314 /nfs/dbraw/zinc/10/33/14/844103314.db2.gz FXXQHDGCAMFMLY-KDOFPFPSSA-N 1 1 360.483 0.871 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cc(C)sn3)C[C@]2(C)C1 ZINC001101213067 844106037 /nfs/dbraw/zinc/10/60/37/844106037.db2.gz RESNLYZEOIFWQD-LBTNJELSSA-N 1 1 360.483 0.983 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[N@H+](CC(=O)N(CC)CC)C[C@@]2(C)C1 ZINC001101219011 844108617 /nfs/dbraw/zinc/10/86/17/844108617.db2.gz PDMBIKBCQQAKIN-AYOQOUSVSA-N 1 1 351.491 0.962 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1C[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101219032 844108974 /nfs/dbraw/zinc/10/89/74/844108974.db2.gz PTGDGOONNGUBFO-FHLIZLRMSA-N 1 1 350.463 0.119 20 30 FCEDMO C#CCOCCC(=O)N1C[C@H]2C[N@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101235920 844113931 /nfs/dbraw/zinc/11/39/31/844113931.db2.gz INWIHLYKEXLPDA-WBVHZDCISA-N 1 1 356.488 0.241 20 30 FCEDMO C#CCOCCC(=O)N1C[C@H]2C[N@@H+](CCCS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101235920 844113936 /nfs/dbraw/zinc/11/39/36/844113936.db2.gz INWIHLYKEXLPDA-WBVHZDCISA-N 1 1 356.488 0.241 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3nc(C)sc3C)C[C@]2(C)C1 ZINC001101276332 844129053 /nfs/dbraw/zinc/12/90/53/844129053.db2.gz AQWZUSFBHQJBEF-KDOFPFPSSA-N 1 1 360.483 0.903 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc(Cl)n3C)C[C@]2(C)C1 ZINC001101298444 844139544 /nfs/dbraw/zinc/13/95/44/844139544.db2.gz WDNQNIIZSKISHR-PXAZEXFGSA-N 1 1 363.849 0.217 20 30 FCEDMO COc1csc(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)c1 ZINC001101319937 844145766 /nfs/dbraw/zinc/14/57/66/844145766.db2.gz BZPHXNSXUYHMPI-PXAZEXFGSA-N 1 1 362.455 0.790 20 30 FCEDMO COc1csc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)c1 ZINC001101319937 844145769 /nfs/dbraw/zinc/14/57/69/844145769.db2.gz BZPHXNSXUYHMPI-PXAZEXFGSA-N 1 1 362.455 0.790 20 30 FCEDMO CC#CCCCC(=O)N1C[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC001101333410 844150666 /nfs/dbraw/zinc/15/06/66/844150666.db2.gz UTTFRPOKKJBQCJ-AEFFLSMTSA-N 1 1 369.531 0.852 20 30 FCEDMO C#CCN1CCN(C(=O)CN2CC[C@H](OCC[NH+](CC)CC)C2)CC1 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/nfs/dbraw/zinc/16/29/20/844162920.db2.gz YGAZTTNSDGLGOB-ACJLOTCBSA-N 1 1 360.845 0.878 20 30 FCEDMO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101377003 844165936 /nfs/dbraw/zinc/16/59/36/844165936.db2.gz NNTVGSIRVUMEEL-VFVRVIDISA-N 1 1 350.463 0.952 20 30 FCEDMO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101379064 844166277 /nfs/dbraw/zinc/16/62/77/844166277.db2.gz TWXQWEIIMHUBEE-ACJLOTCBSA-N 1 1 350.463 0.825 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@]2(C)C1 ZINC001101376842 844166350 /nfs/dbraw/zinc/16/63/50/844166350.db2.gz LASRPAUNOXOTPH-PBHICJAKSA-N 1 1 350.850 0.967 20 30 FCEDMO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001061755983 836713863 /nfs/dbraw/zinc/71/38/63/836713863.db2.gz WHZCTUXNBSNXPS-QLFBSQMISA-N 1 1 353.463 0.261 20 30 FCEDMO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001061755983 836713871 /nfs/dbraw/zinc/71/38/71/836713871.db2.gz 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CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnnc(C)c2)[nH]1 ZINC001130204775 1201540973 /nfs/dbraw/zinc/54/09/73/1201540973.db2.gz KEXCNRZQKMQHAS-GJZGRUSLSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCOCCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130207672 1201542287 /nfs/dbraw/zinc/54/22/87/1201542287.db2.gz LUYFTJDUXMXENU-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCOCCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130207672 1201542289 /nfs/dbraw/zinc/54/22/89/1201542289.db2.gz LUYFTJDUXMXENU-GJZGRUSLSA-N 1 1 363.462 0.579 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130207859 1201543062 /nfs/dbraw/zinc/54/30/62/1201543062.db2.gz SUZUFVTVKZJPJO-ILXRZTDVSA-N 1 1 361.446 0.497 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130207859 1201543065 /nfs/dbraw/zinc/54/30/65/1201543065.db2.gz SUZUFVTVKZJPJO-ILXRZTDVSA-N 1 1 361.446 0.497 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC2(O)CCC2)n1 ZINC001130209833 1201544497 /nfs/dbraw/zinc/54/44/97/1201544497.db2.gz MZRMNFUHGDRWKR-KBPBESRZSA-N 1 1 363.462 0.764 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC2(O)CCC2)n[nH]1 ZINC001130209833 1201544499 /nfs/dbraw/zinc/54/44/99/1201544499.db2.gz MZRMNFUHGDRWKR-KBPBESRZSA-N 1 1 363.462 0.764 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](OCC)C2CC2)n1 ZINC001130212858 1201545526 /nfs/dbraw/zinc/54/55/26/1201545526.db2.gz HQXFOHJAPXWZRT-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](OCC)C2CC2)n[nH]1 ZINC001130212858 1201545529 /nfs/dbraw/zinc/54/55/29/1201545529.db2.gz HQXFOHJAPXWZRT-OFQRWUPVSA-N 1 1 363.462 0.884 20 30 FCEDMO C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[nH]1 ZINC001130215696 1201545782 /nfs/dbraw/zinc/54/57/82/1201545782.db2.gz BZZJTQQERPALKU-AGIUHOORSA-N 1 1 364.450 0.113 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccncn2)n1 ZINC001130216166 1201547110 /nfs/dbraw/zinc/54/71/10/1201547110.db2.gz PEMKEJLTOUXIID-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ccncn2)n[nH]1 ZINC001130216166 1201547111 /nfs/dbraw/zinc/54/71/11/1201547111.db2.gz PEMKEJLTOUXIID-GJZGRUSLSA-N 1 1 371.445 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)nnc2C)n1 ZINC001130215996 1201547195 /nfs/dbraw/zinc/54/71/95/1201547195.db2.gz LXYFQLBNZREDLA-ZFWWWQNUSA-N 1 1 371.445 0.790 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nnc2C)n[nH]1 ZINC001130215996 1201547198 /nfs/dbraw/zinc/54/71/98/1201547198.db2.gz LXYFQLBNZREDLA-ZFWWWQNUSA-N 1 1 371.445 0.790 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)ncn2)[nH]1 ZINC001130200729 1201548588 /nfs/dbraw/zinc/54/85/88/1201548588.db2.gz UWIPTZGLYNCLMV-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO CC(C)OCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001130202542 1201548858 /nfs/dbraw/zinc/54/88/58/1201548858.db2.gz BLLVIKRYZBZVTJ-IHRRRGAJSA-N 1 1 364.450 0.468 20 30 FCEDMO CC(C)OCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H](C)C#N)n[nH]1 ZINC001130202542 1201548861 /nfs/dbraw/zinc/54/88/61/1201548861.db2.gz BLLVIKRYZBZVTJ-IHRRRGAJSA-N 1 1 364.450 0.468 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccon2)n1 ZINC001130202840 1201550052 /nfs/dbraw/zinc/55/00/52/1201550052.db2.gz LJLLDQPKMHQTCK-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccon2)n[nH]1 ZINC001130202840 1201550055 /nfs/dbraw/zinc/55/00/55/1201550055.db2.gz LJLLDQPKMHQTCK-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccn2)[nH]1 ZINC001130202950 1201550143 /nfs/dbraw/zinc/55/01/43/1201550143.db2.gz PCJZKZIGZRYWTG-SNPRPXQTSA-N 1 1 369.429 0.638 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)cc2C)[nH]1 ZINC001130222823 1201552423 /nfs/dbraw/zinc/55/24/23/1201552423.db2.gz GORFPUSRWGEMKU-KBPBESRZSA-N 1 1 356.430 0.775 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]c(C)cc2C)n[nH]1 ZINC001130222823 1201552426 /nfs/dbraw/zinc/55/24/26/1201552426.db2.gz GORFPUSRWGEMKU-KBPBESRZSA-N 1 1 356.430 0.775 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occ3c2CCC3)[nH]1 ZINC001130225086 1201553998 /nfs/dbraw/zinc/55/39/98/1201553998.db2.gz RQNPCTOAHLKMGC-GJZGRUSLSA-N 1 1 369.425 0.912 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]C[C@@H](C)O)n[nH]2)C1 ZINC001130235160 1201558991 /nfs/dbraw/zinc/55/89/91/1201558991.db2.gz VXYYBLXKFVQWIS-RDBSUJKOSA-N 1 1 363.462 0.620 20 30 FCEDMO C=C1CC(C)(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]C[C@@H](C)O)n2)C1 ZINC001130235160 1201558993 /nfs/dbraw/zinc/55/89/93/1201558993.db2.gz VXYYBLXKFVQWIS-RDBSUJKOSA-N 1 1 363.462 0.620 20 30 FCEDMO C=C[C@@](C)(CC)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130234924 1201559637 /nfs/dbraw/zinc/55/96/37/1201559637.db2.gz PNORJTCYTSXAOC-DEYYWGMASA-N 1 1 365.478 0.868 20 30 FCEDMO C=C[C@@](C)(CC)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130234924 1201559640 /nfs/dbraw/zinc/55/96/40/1201559640.db2.gz PNORJTCYTSXAOC-DEYYWGMASA-N 1 1 365.478 0.868 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)n2ccnc2)[nH]1 ZINC001130242203 1201562607 /nfs/dbraw/zinc/56/26/07/1201562607.db2.gz LNZRFIISWXVICE-ILXRZTDVSA-N 1 1 371.445 0.364 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CCOC2)n1 ZINC001130244204 1201563545 /nfs/dbraw/zinc/56/35/45/1201563545.db2.gz DDRNUPNKFADTJU-SUNYJGFJSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)CCOC2)n[nH]1 ZINC001130244204 1201563547 /nfs/dbraw/zinc/56/35/47/1201563547.db2.gz DDRNUPNKFADTJU-SUNYJGFJSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCn2cccc2)n1 ZINC001130244176 1201564009 /nfs/dbraw/zinc/56/40/09/1201564009.db2.gz CVHDCXIYFPGNRM-HOTGVXAUSA-N 1 1 370.457 0.798 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCn2cccc2)n[nH]1 ZINC001130244176 1201564010 /nfs/dbraw/zinc/56/40/10/1201564010.db2.gz CVHDCXIYFPGNRM-HOTGVXAUSA-N 1 1 370.457 0.798 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ncc[nH]2)n1 ZINC001130244249 1201564188 /nfs/dbraw/zinc/56/41/88/1201564188.db2.gz FNCTXHKHTAWQDJ-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ncc[nH]2)n[nH]1 ZINC001130244249 1201564195 /nfs/dbraw/zinc/56/41/95/1201564195.db2.gz FNCTXHKHTAWQDJ-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncn2)n1 ZINC001130244635 1201564660 /nfs/dbraw/zinc/56/46/60/1201564660.db2.gz MMIWNBIDDNVRJT-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncn2)n[nH]1 ZINC001130244635 1201564662 /nfs/dbraw/zinc/56/46/62/1201564662.db2.gz MMIWNBIDDNVRJT-JSGCOSHPSA-N 1 1 357.418 0.563 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(C)CCCOC2)n1 ZINC001130245138 1201565288 /nfs/dbraw/zinc/56/52/88/1201565288.db2.gz UDVGWMBCGPTSKD-SUNYJGFJSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(C)CCCOC2)n[nH]1 ZINC001130245138 1201565290 /nfs/dbraw/zinc/56/52/90/1201565290.db2.gz UDVGWMBCGPTSKD-SUNYJGFJSA-N 1 1 363.462 0.886 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]nc2C2CC2)n1 ZINC001130246029 1201565888 /nfs/dbraw/zinc/56/58/88/1201565888.db2.gz BHTSFFGHBYTJTB-JSGCOSHPSA-N 1 1 371.445 0.983 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]nc2C2CC2)n[nH]1 ZINC001130246029 1201565890 /nfs/dbraw/zinc/56/58/90/1201565890.db2.gz BHTSFFGHBYTJTB-JSGCOSHPSA-N 1 1 371.445 0.983 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccco2)n1 ZINC001130246412 1201566300 /nfs/dbraw/zinc/56/63/00/1201566300.db2.gz KFNXUOKEQXEHRI-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccco2)n[nH]1 ZINC001130246412 1201566304 /nfs/dbraw/zinc/56/63/04/1201566304.db2.gz KFNXUOKEQXEHRI-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnn3cc[nH]c23)n1 ZINC001130248968 1201568121 /nfs/dbraw/zinc/56/81/21/1201568121.db2.gz CLOJYSRPKDRCDR-AAEUAGOBSA-N 1 1 370.417 0.359 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn3cc[nH]c23)n[nH]1 ZINC001130248968 1201568126 /nfs/dbraw/zinc/56/81/26/1201568126.db2.gz CLOJYSRPKDRCDR-AAEUAGOBSA-N 1 1 370.417 0.359 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130401339 1201588763 /nfs/dbraw/zinc/58/87/63/1201588763.db2.gz ABJHFTLDYAVPCK-AKCHCHLHSA-N 1 1 369.469 0.755 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001130401339 1201588767 /nfs/dbraw/zinc/58/87/67/1201588767.db2.gz ABJHFTLDYAVPCK-AKCHCHLHSA-N 1 1 369.469 0.755 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430725 1201590261 /nfs/dbraw/zinc/59/02/61/1201590261.db2.gz HBYHUXSSVMZWQX-BHYGNILZSA-N 1 1 369.469 0.611 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001130430725 1201590264 /nfs/dbraw/zinc/59/02/64/1201590264.db2.gz HBYHUXSSVMZWQX-BHYGNILZSA-N 1 1 369.469 0.611 20 30 FCEDMO COCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220008771 1224725887 /nfs/dbraw/zinc/72/58/87/1224725887.db2.gz HETGDOPUHZDUAR-SJORKVTESA-N 1 1 361.442 0.923 20 30 FCEDMO COCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220008771 1224725890 /nfs/dbraw/zinc/72/58/90/1224725890.db2.gz HETGDOPUHZDUAR-SJORKVTESA-N 1 1 361.442 0.923 20 30 FCEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220040943 1224734858 /nfs/dbraw/zinc/73/48/58/1224734858.db2.gz PDNGFXJLTBZLQK-NCOADZHNSA-N 1 1 369.506 0.931 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130509703 1202706884 /nfs/dbraw/zinc/70/68/84/1202706884.db2.gz MYMAQAKCTFZPQS-HEHGZKQESA-N 1 1 371.445 0.032 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(F)F)n[nH]2)O1 ZINC001130749856 1202775632 /nfs/dbraw/zinc/77/56/32/1202775632.db2.gz TVLGSJLTFUEJKJ-NWDGAFQWSA-N 1 1 371.388 0.536 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)NC(C)=O)n[nH]2)O1 ZINC001130753008 1202776388 /nfs/dbraw/zinc/77/63/88/1202776388.db2.gz MMRCIKBMMYOQAF-FPMFFAJLSA-N 1 1 364.450 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3C)n[nH]2)O1 ZINC001130759867 1202781892 /nfs/dbraw/zinc/78/18/92/1202781892.db2.gz QSZVCRLJSCXEQU-DZGCQCFKSA-N 1 1 371.445 0.610 20 30 FCEDMO N#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)[nH]1 ZINC001130774738 1202782712 /nfs/dbraw/zinc/78/27/12/1202782712.db2.gz BAKBNSQIEQHHTE-WCQYABFASA-N 1 1 361.381 0.714 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[nH]2)O1 ZINC001130775295 1202782884 /nfs/dbraw/zinc/78/28/84/1202782884.db2.gz QRXXCNZAJLLFSO-DZGCQCFKSA-N 1 1 367.413 0.767 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H]3CCOC3)n[nH]2)O1 ZINC001130772212 1202787416 /nfs/dbraw/zinc/78/74/16/1202787416.db2.gz DFCAENFXFIXTQL-SOUVJXGZSA-N 1 1 361.446 0.681 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)c3)n[nH]2)O1 ZINC001130772749 1202788309 /nfs/dbraw/zinc/78/83/09/1202788309.db2.gz ZTBRDUREZYRQJM-LSDHHAIUSA-N 1 1 356.430 0.906 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCCO3)n[nH]2)O1 ZINC001130776761 1202790448 /nfs/dbraw/zinc/79/04/48/1202790448.db2.gz KNBCYRDSSBFCCO-SOUVJXGZSA-N 1 1 361.446 0.823 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@](C)(O)C=C)n[nH]2)O1 ZINC001130778283 1202791375 /nfs/dbraw/zinc/79/13/75/1202791375.db2.gz OXQADLXMSCVJDO-PMUMKWKESA-N 1 1 361.446 0.581 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3)n[nH]2)O1 ZINC001130778313 1202791690 /nfs/dbraw/zinc/79/16/90/1202791690.db2.gz QTASLUYZQWRAJL-UONOGXRCSA-N 1 1 357.418 0.911 20 30 FCEDMO COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC(C)(C)C)n[nH]2)O1 ZINC001130780832 1202792523 /nfs/dbraw/zinc/79/25/23/1202792523.db2.gz FPXAGLJJAPUVAP-UONOGXRCSA-N 1 1 363.462 0.927 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(=O)n(C)o3)n[nH]2)O1 ZINC001130783450 1202794444 /nfs/dbraw/zinc/79/44/44/1202794444.db2.gz YJWLYNPJAAWCEF-WDEREUQCSA-N 1 1 362.390 0.022 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CC(N)=O)n[nH]2)O1 ZINC001130793861 1202795340 /nfs/dbraw/zinc/79/53/40/1202795340.db2.gz CZUKYMJMZNEIBC-RWMBFGLXSA-N 1 1 364.450 0.318 20 30 FCEDMO 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FWPXEHVRPQKMJK-GJZGRUSLSA-N 1 1 357.462 0.577 20 30 FCEDMO N#C[C@]1(F)CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001340199354 1268468607 /nfs/dbraw/zinc/46/86/07/1268468607.db2.gz JYQFZIWUZOUADZ-QGZVFWFLSA-N 1 1 366.437 0.602 20 30 FCEDMO C=CCn1c(-c2nc(C)no2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001340253369 1268488396 /nfs/dbraw/zinc/48/83/96/1268488396.db2.gz SFPMHZPJNMFMLG-CQSZACIVSA-N 1 1 359.434 0.981 20 30 FCEDMO C=CCn1c(CC(C)(C)O)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001340296649 1268501236 /nfs/dbraw/zinc/50/12/36/1268501236.db2.gz MJUUQDNPIMIXEB-UHFFFAOYSA-N 1 1 367.494 0.561 20 30 FCEDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC001340320895 1268509179 /nfs/dbraw/zinc/50/91/79/1268509179.db2.gz IWTQDZIHTWCOKW-INIZCTEOSA-N 1 1 357.454 0.458 20 30 FCEDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC001340320895 1268509183 /nfs/dbraw/zinc/50/91/83/1268509183.db2.gz IWTQDZIHTWCOKW-INIZCTEOSA-N 1 1 357.454 0.458 20 30 FCEDMO C=CCn1c(Cc2nnc[nH]2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001340366410 1268522176 /nfs/dbraw/zinc/52/21/76/1268522176.db2.gz GONHHBQFIRFEHV-UHFFFAOYSA-N 1 1 374.493 0.968 20 30 FCEDMO C=CCn1c(-c2ccnc(C#N)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001340371880 1268525822 /nfs/dbraw/zinc/52/58/22/1268525822.db2.gz CYOFONHKIDNLIX-MRXNPFEDSA-N 1 1 351.414 0.919 20 30 FCEDMO C=CCn1c(-c2ccnc(C#N)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001340371880 1268525831 /nfs/dbraw/zinc/52/58/31/1268525831.db2.gz CYOFONHKIDNLIX-MRXNPFEDSA-N 1 1 351.414 0.919 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001340492055 1268565304 /nfs/dbraw/zinc/56/53/04/1268565304.db2.gz PDJXHQBKNLFRFR-MRXNPFEDSA-N 1 1 373.505 0.631 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001340492055 1268565312 /nfs/dbraw/zinc/56/53/12/1268565312.db2.gz PDJXHQBKNLFRFR-MRXNPFEDSA-N 1 1 373.505 0.631 20 30 FCEDMO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nn1CCC#N ZINC001341493586 1269031442 /nfs/dbraw/zinc/03/14/42/1269031442.db2.gz DQRZVFSJPZGJKF-KGLIPLIRSA-N 1 1 360.418 0.023 20 30 FCEDMO COCCn1c(CO)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001341641226 1269125835 /nfs/dbraw/zinc/12/58/35/1269125835.db2.gz WHJIORSKEPTKSY-UHFFFAOYSA-N 1 1 356.430 0.611 20 30 FCEDMO C=C(C)Cn1c(-c2cc(CO)on2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001342146139 1269370164 /nfs/dbraw/zinc/37/01/64/1269370164.db2.gz AVSGEMQLYVIIID-CYBMUJFWSA-N 1 1 360.418 0.522 20 30 FCEDMO C=C(C)Cn1c(-c2cc(CO)on2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001342146139 1269370169 /nfs/dbraw/zinc/37/01/69/1269370169.db2.gz AVSGEMQLYVIIID-CYBMUJFWSA-N 1 1 360.418 0.522 20 30 FCEDMO C=C(C)Cn1c(N2CC[NH+](CCOCC)CC2)nnc1[C@](C)(O)COC ZINC001342196073 1269392996 /nfs/dbraw/zinc/39/29/96/1269392996.db2.gz NCRUMIVJWZSCPE-GOSISDBHSA-N 1 1 367.494 0.867 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001342211060 1269401417 /nfs/dbraw/zinc/40/14/17/1269401417.db2.gz IPLCXAGCVXZFQG-CYBMUJFWSA-N 1 1 362.434 0.254 20 30 FCEDMO C=CCn1c(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)nnc1[C@@]1(O)CCOC1 ZINC001342443405 1269472914 /nfs/dbraw/zinc/47/29/14/1269472914.db2.gz YCCGPITVSRKQGJ-RVKKMQEKSA-N 1 1 365.478 0.617 20 30 FCEDMO C=C(C)Cn1c(CCC[N+](=O)[O-])nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001342522321 1269500610 /nfs/dbraw/zinc/50/06/10/1269500610.db2.gz KMXLGJDWQDAHNI-AWEZNQCLSA-N 1 1 350.423 0.584 20 30 FCEDMO C=C(C)Cn1c(CCC[N+](=O)[O-])nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001342522321 1269500614 /nfs/dbraw/zinc/50/06/14/1269500614.db2.gz KMXLGJDWQDAHNI-AWEZNQCLSA-N 1 1 350.423 0.584 20 30 FCEDMO C=C(C)Cn1c(CNS(=O)(=O)CC)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001342532753 1269503883 /nfs/dbraw/zinc/50/38/83/1269503883.db2.gz CBUHPZOSZGZCGF-AWEZNQCLSA-N 1 1 370.523 0.824 20 30 FCEDMO C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001342777201 1269602435 /nfs/dbraw/zinc/60/24/35/1269602435.db2.gz AXLFZWHCXUIPPG-CABCVRRESA-N 1 1 362.478 0.650 20 30 FCEDMO C=C(C)Cn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001343006211 1269725847 /nfs/dbraw/zinc/72/58/47/1269725847.db2.gz ANFPWFROAQQLMM-KDOFPFPSSA-N 1 1 360.462 0.153 20 30 FCEDMO C=C(C)Cn1c(N2CC[N@H+]3CCOC[C@H]3C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001343006211 1269725859 /nfs/dbraw/zinc/72/58/59/1269725859.db2.gz ANFPWFROAQQLMM-KDOFPFPSSA-N 1 1 360.462 0.153 20 30 FCEDMO C=C(C)Cn1c(-c2nc[nH]n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001343523700 1269936514 /nfs/dbraw/zinc/93/65/14/1269936514.db2.gz PXDIGPDEQVPPRS-AWEZNQCLSA-N 1 1 358.450 0.798 20 30 FCEDMO C=C(C)Cn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001343967429 1270064334 /nfs/dbraw/zinc/06/43/34/1270064334.db2.gz YGPSRLVWGQDHLT-JYJNAYRXSA-N 1 1 374.489 0.757 20 30 FCEDMO N#CCCCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCOC1 ZINC001344372828 1270162296 /nfs/dbraw/zinc/16/22/96/1270162296.db2.gz KIROSQUFYODSQJ-JKSUJKDBSA-N 1 1 360.462 0.682 20 30 FCEDMO N#CCCCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@H]1CCOC1 ZINC001344372828 1270162299 /nfs/dbraw/zinc/16/22/99/1270162299.db2.gz KIROSQUFYODSQJ-JKSUJKDBSA-N 1 1 360.462 0.682 20 30 FCEDMO Cn1c(C[C@H](O)CC#N)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001344581326 1270209071 /nfs/dbraw/zinc/20/90/71/1270209071.db2.gz YHUNLODMSULVCP-QGZVFWFLSA-N 1 1 365.441 0.826 20 30 FCEDMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NCC#Cc2ccccc2)CC1 ZINC001344908380 1270275953 /nfs/dbraw/zinc/27/59/53/1270275953.db2.gz SLAVJPITCLDVAE-UHFFFAOYSA-N 1 1 370.497 0.688 20 30 FCEDMO C#CCN(CC#CC)c1nnc([C@@H]2COCCN2)n1C[C@H]1CCC[N@@H+]1CC ZINC001574632327 1271429919 /nfs/dbraw/zinc/42/99/19/1271429919.db2.gz OUPGVKWQQUVQSR-MSOLQXFVSA-N 1 1 370.501 0.886 20 30 FCEDMO C#CCN(CC)c1nnc([C@@H]2COCCN2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001574659766 1271461329 /nfs/dbraw/zinc/46/13/29/1271461329.db2.gz DKNXLWAQRBTLTI-WBVHZDCISA-N 1 1 358.490 0.883 20 30 FCEDMO C#CCCCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001574849058 1271596903 /nfs/dbraw/zinc/59/69/03/1271596903.db2.gz FNOHKENZAQQPGF-GJZGRUSLSA-N 1 1 360.462 0.441 20 30 FCEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H](C)C(=O)NCc1cn[nH]n1 ZINC001574850131 1271599386 /nfs/dbraw/zinc/59/93/86/1271599386.db2.gz NHHIYSSMHLMQNG-NVXWUHKLSA-N 1 1 374.489 0.926 20 30 FCEDMO C#CCN(C(=O)[C@H]1CCOC[C@@H]1C)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001574895648 1271657185 /nfs/dbraw/zinc/65/71/85/1271657185.db2.gz XLCPIBRIWRWRON-YJBOKZPZSA-N 1 1 359.474 0.946 20 30 FCEDMO C#CCNC(=O)C[NH2+]CC1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC001575005005 1271689746 /nfs/dbraw/zinc/68/97/46/1271689746.db2.gz RTXKGVSEURFRNM-UHFFFAOYSA-N 1 1 360.462 0.095 20 30 FCEDMO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CCN(Cc2c[nH]nn2)CC1 ZINC001575004315 1271690724 /nfs/dbraw/zinc/69/07/24/1271690724.db2.gz DHNQKFYKEQFNDZ-YJBOKZPZSA-N 1 1 358.490 0.867 20 30 FCEDMO C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001575005123 1271691380 /nfs/dbraw/zinc/69/13/80/1271691380.db2.gz VJRMEBJOYWFHPW-SFHVURJKSA-N 1 1 374.489 0.390 20 30 FCEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](CCO)CCc3c[nH]nn3)CC2)nc1 ZINC001575020996 1271695917 /nfs/dbraw/zinc/69/59/17/1271695917.db2.gz ABLUDKVIUYCMSI-UHFFFAOYSA-N 1 1 368.441 0.323 20 30 FCEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](CCO)CCc3cn[nH]n3)CC2)nc1 ZINC001575020996 1271695926 /nfs/dbraw/zinc/69/59/26/1271695926.db2.gz ABLUDKVIUYCMSI-UHFFFAOYSA-N 1 1 368.441 0.323 20 30 FCEDMO C#Cc1ccc(C(=O)N2CCC([N@@H+](CCO)CCc3cn[nH]n3)CC2)nc1 ZINC001575020996 1271695934 /nfs/dbraw/zinc/69/59/34/1271695934.db2.gz ABLUDKVIUYCMSI-UHFFFAOYSA-N 1 1 368.441 0.323 20 30 FCEDMO C#Cc1ccc(C(=O)NC[C@H](CC)[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575021313 1271696836 /nfs/dbraw/zinc/69/68/36/1271696836.db2.gz DWIPDMIVVWTMMV-BBRMVZONSA-N 1 1 368.441 0.589 20 30 FCEDMO C=C(C)C[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)CCc2cn(C)nn2)CC1 ZINC001575049255 1271700412 /nfs/dbraw/zinc/70/04/12/1271700412.db2.gz ZQCLWHPBKWMBMP-UHFFFAOYSA-N 1 1 372.477 0.935 20 30 FCEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)[C@@H](C)C(=O)NCc2cn[nH]n2)C1 ZINC001575061313 1271704636 /nfs/dbraw/zinc/70/46/36/1271704636.db2.gz FGYXBQQFOAZCQK-AWEZNQCLSA-N 1 1 362.478 0.994 20 30 FCEDMO C=C1CC(C)(C(=O)NCCC[N@@H+](CC)[C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575061313 1271704646 /nfs/dbraw/zinc/70/46/46/1271704646.db2.gz FGYXBQQFOAZCQK-AWEZNQCLSA-N 1 1 362.478 0.994 20 30 FCEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)[C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575061313 1271704652 /nfs/dbraw/zinc/70/46/52/1271704652.db2.gz FGYXBQQFOAZCQK-AWEZNQCLSA-N 1 1 362.478 0.994 20 30 FCEDMO C=CC(C)(C)C(=O)N1CC[C@H](CC[NH2+][C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575062297 1271706006 /nfs/dbraw/zinc/70/60/06/1271706006.db2.gz POVDBCXSZWMLAP-KBPBESRZSA-N 1 1 362.478 0.850 20 30 FCEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001575065690 1271706123 /nfs/dbraw/zinc/70/61/23/1271706123.db2.gz LASHIYZVZASVPP-KGLIPLIRSA-N 1 1 362.478 0.898 20 30 FCEDMO C=C1CCC(C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575062955 1271706241 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C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCOC2)[nH]1 ZINC001130198235 1201534076 /nfs/dbraw/zinc/53/40/76/1201534076.db2.gz BBJOXNUFCXSCMS-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(CC)n[nH]2)n1 ZINC001130184880 1201538668 /nfs/dbraw/zinc/53/86/68/1201538668.db2.gz LGAXCNQSFWKBPR-ZFWWWQNUSA-N 1 1 371.445 0.506 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(CC)n[nH]2)n[nH]1 ZINC001130184880 1201538671 /nfs/dbraw/zinc/53/86/71/1201538671.db2.gz LGAXCNQSFWKBPR-ZFWWWQNUSA-N 1 1 371.445 0.506 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001130205238 1201540891 /nfs/dbraw/zinc/54/08/91/1201540891.db2.gz VKYMGZVMPGCYTN-GJZGRUSLSA-N 1 1 369.429 0.973 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001130205238 1201540893 /nfs/dbraw/zinc/54/08/93/1201540893.db2.gz VKYMGZVMPGCYTN-GJZGRUSLSA-N 1 1 369.429 0.973 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ncc[nH]2)n1 ZINC001130207459 1201541224 /nfs/dbraw/zinc/54/12/24/1201541224.db2.gz BBEVVTPIYQTFEX-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ncc[nH]2)n[nH]1 ZINC001130207459 1201541230 /nfs/dbraw/zinc/54/12/30/1201541230.db2.gz BBEVVTPIYQTFEX-STQMWFEESA-N 1 1 359.434 0.425 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nn2)[nH]1 ZINC001130207574 1201541478 /nfs/dbraw/zinc/54/14/78/1201541478.db2.gz HAJCNIYRXUXOEQ-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nn(C)cc2C)n1 ZINC001130207701 1201542010 /nfs/dbraw/zinc/54/20/10/1201542010.db2.gz MOYIVAVZBHNTED-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nn(C)cc2C)n[nH]1 ZINC001130207701 1201542015 /nfs/dbraw/zinc/54/20/15/1201542015.db2.gz MOYIVAVZBHNTED-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]ccc2C)[nH]1 ZINC001130207897 1201542755 /nfs/dbraw/zinc/54/27/55/1201542755.db2.gz VHYCACCOFGRYBU-KBPBESRZSA-N 1 1 356.430 0.857 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OCC)C(C)C)[nH]1 ZINC001130207954 1201543072 /nfs/dbraw/zinc/54/30/72/1201543072.db2.gz XZBUTSZYPWMWPF-OFQRWUPVSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OCC)C(C)C)[nH]1 ZINC001130207953 1201543379 /nfs/dbraw/zinc/54/33/79/1201543379.db2.gz XZBUTSZYPWMWPF-DZKIICNBSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c(C)ncn2C)n1 ZINC001130216141 1201546610 /nfs/dbraw/zinc/54/66/10/1201546610.db2.gz NQHPLZULORNNBM-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c(C)ncn2C)n[nH]1 ZINC001130216141 1201546614 /nfs/dbraw/zinc/54/66/14/1201546614.db2.gz NQHPLZULORNNBM-KBPBESRZSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](C)n2cccc2)n1 ZINC001130200319 1201548128 /nfs/dbraw/zinc/54/81/28/1201548128.db2.gz HYPSRYIVKNTJNO-JYJNAYRXSA-N 1 1 370.457 0.969 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](C)n2cccc2)n[nH]1 ZINC001130200319 1201548131 /nfs/dbraw/zinc/54/81/31/1201548131.db2.gz HYPSRYIVKNTJNO-JYJNAYRXSA-N 1 1 370.457 0.969 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2C)n1 ZINC001130223146 1201552028 /nfs/dbraw/zinc/55/20/28/1201552028.db2.gz OELMUMHWAIHABB-KBPBESRZSA-N 1 1 357.418 0.481 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2C)n[nH]1 ZINC001130223146 1201552035 /nfs/dbraw/zinc/55/20/35/1201552035.db2.gz OELMUMHWAIHABB-KBPBESRZSA-N 1 1 357.418 0.481 20 30 FCEDMO COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C)[nH]1 ZINC001130225103 1201554324 /nfs/dbraw/zinc/55/43/24/1201554324.db2.gz SOFNEFAQVAYJRM-BARDWOONSA-N 1 1 361.446 0.189 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CCC)OCC)[nH]1 ZINC001130230310 1201556801 /nfs/dbraw/zinc/55/68/01/1201556801.db2.gz RJGPDWMWGRSDHI-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2CC)[nH]1 ZINC001130230491 1201556837 /nfs/dbraw/zinc/55/68/37/1201556837.db2.gz XSFKSDDFZMBLNF-XGUBFFRZSA-N 1 1 361.446 0.331 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(CC)n2)[nH]1 ZINC001130242103 1201562384 /nfs/dbraw/zinc/56/23/84/1201562384.db2.gz FNAAFEDSLCLLMP-JSGCOSHPSA-N 1 1 357.418 0.046 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(CC)n2)n[nH]1 ZINC001130242103 1201562386 /nfs/dbraw/zinc/56/23/86/1201562386.db2.gz FNAAFEDSLCLLMP-JSGCOSHPSA-N 1 1 357.418 0.046 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncn2)[nH]1 ZINC001130244114 1201563652 /nfs/dbraw/zinc/56/36/52/1201563652.db2.gz AENZYNDAFGMESM-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)nn2C)[nH]1 ZINC001130244319 1201563883 /nfs/dbraw/zinc/56/38/83/1201563883.db2.gz GTWPWCREMRRSPK-ZFWWWQNUSA-N 1 1 371.445 0.126 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(CC)nn2C)n[nH]1 ZINC001130244319 1201563887 /nfs/dbraw/zinc/56/38/87/1201563887.db2.gz GTWPWCREMRRSPK-ZFWWWQNUSA-N 1 1 371.445 0.126 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#C)nc2)[nH]1 ZINC001130247034 1201567694 /nfs/dbraw/zinc/56/76/94/1201567694.db2.gz RHHGNRVKDQQRHA-HOTGVXAUSA-N 1 1 364.409 0.206 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccc(C#C)nc2)n[nH]1 ZINC001130247034 1201567698 /nfs/dbraw/zinc/56/76/98/1201567698.db2.gz RHHGNRVKDQQRHA-HOTGVXAUSA-N 1 1 364.409 0.206 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CCOCC2)[nH]1 ZINC001130246764 1201567788 /nfs/dbraw/zinc/56/77/88/1201567788.db2.gz OYNRWZGIDCNTAH-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCOC)n[nH]1 ZINC001130251497 1201570193 /nfs/dbraw/zinc/57/01/93/1201570193.db2.gz XXORCLKOLVXCGG-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCOC)n1 ZINC001130251497 1201570198 /nfs/dbraw/zinc/57/01/98/1201570198.db2.gz XXORCLKOLVXCGG-IHRRRGAJSA-N 1 1 367.450 0.121 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCOC)[nH]1 ZINC001130251441 1201570244 /nfs/dbraw/zinc/57/02/44/1201570244.db2.gz UWRAKMGGISITNU-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@@H](O)C1 ZINC001219923899 1224683566 /nfs/dbraw/zinc/68/35/66/1224683566.db2.gz HAWKPTSWELAYJF-MCIONIFRSA-N 1 1 360.418 0.449 20 30 FCEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130298925 1201580096 /nfs/dbraw/zinc/58/00/96/1201580096.db2.gz MZVMUBCHIWNRGH-MUKKUYKPSA-N 1 1 364.490 0.549 20 30 FCEDMO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C2)cc1 ZINC001219961401 1224702169 /nfs/dbraw/zinc/70/21/69/1224702169.db2.gz VOIQRWPUQFNGEO-CVEARBPZSA-N 1 1 359.430 0.058 20 30 FCEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C2)cc1 ZINC001219961401 1224702174 /nfs/dbraw/zinc/70/21/74/1224702174.db2.gz VOIQRWPUQFNGEO-CVEARBPZSA-N 1 1 359.430 0.058 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001220000112 1224722827 /nfs/dbraw/zinc/72/28/27/1224722827.db2.gz AHFILEYWJZZUTF-IKGGRYGDSA-N 1 1 364.417 0.883 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001220000112 1224722830 /nfs/dbraw/zinc/72/28/30/1224722830.db2.gz AHFILEYWJZZUTF-IKGGRYGDSA-N 1 1 364.417 0.883 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130509702 1202707130 /nfs/dbraw/zinc/70/71/30/1202707130.db2.gz MYMAQAKCTFZPQS-DVOMOZLQSA-N 1 1 371.445 0.032 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001130578062 1202721641 /nfs/dbraw/zinc/72/16/41/1202721641.db2.gz BWDHEOKTNMAXRM-IJEWVQPXSA-N 1 1 370.461 0.392 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001130587388 1202724114 /nfs/dbraw/zinc/72/41/14/1202724114.db2.gz MBHILDXPDKDNRA-FUHWJXTLSA-N 1 1 371.441 0.841 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130612324 1202730599 /nfs/dbraw/zinc/73/05/99/1202730599.db2.gz VZDYYXVIHCRSDM-ZXFNITATSA-N 1 1 352.442 0.854 20 30 FCEDMO CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#CCOC)C1)[NH+](C)C ZINC001130615048 1202731216 /nfs/dbraw/zinc/73/12/16/1202731216.db2.gz IZGAQDMEXKTLBI-CGTJXYLNSA-N 1 1 361.490 0.294 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130708331 1202763443 /nfs/dbraw/zinc/76/34/43/1202763443.db2.gz JQRAUANSWGCYNR-YZVOILCLSA-N 1 1 366.469 0.856 20 30 FCEDMO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130728367 1202764272 /nfs/dbraw/zinc/76/42/72/1202764272.db2.gz AZENQIAMJZEONE-FUHWJXTLSA-N 1 1 361.490 0.603 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)cn3)n[nH]2)O1 ZINC001130752923 1202776211 /nfs/dbraw/zinc/77/62/11/1202776211.db2.gz HYLZCONSQZLUQF-DZGCQCFKSA-N 1 1 369.429 0.666 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)NC(C)=O)n[nH]2)O1 ZINC001130753009 1202776570 /nfs/dbraw/zinc/77/65/70/1202776570.db2.gz MMRCIKBMMYOQAF-KWCYVHTRSA-N 1 1 364.450 0.331 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccn3)n[nH]2)O1 ZINC001130761641 1202778028 /nfs/dbraw/zinc/77/80/28/1202778028.db2.gz FGNNNPSHRUPFPH-SOUVJXGZSA-N 1 1 371.445 0.712 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3cccn3)n[nH]2)O1 ZINC001130758089 1202780585 /nfs/dbraw/zinc/78/05/85/1202780585.db2.gz PQGDUOZEKFSANP-UONOGXRCSA-N 1 1 357.418 0.151 20 30 FCEDMO 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AXWBANZRKHKLQB-KSSFIOAISA-N 1 1 358.446 0.180 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c(C)noc2C)C1 ZINC001111977857 1221191127 /nfs/dbraw/zinc/19/11/27/1221191127.db2.gz KVTISPNGNYJIJE-KXBFYZLASA-N 1 1 358.442 0.554 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c(C)noc2C)C1 ZINC001111977857 1221191130 /nfs/dbraw/zinc/19/11/30/1221191130.db2.gz KVTISPNGNYJIJE-KXBFYZLASA-N 1 1 358.442 0.554 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2COc3ccccc32)C1 ZINC001112021225 1221203315 /nfs/dbraw/zinc/20/33/15/1221203315.db2.gz AHGGZKXXQAXHNJ-UVFQYZLESA-N 1 1 368.437 0.773 20 30 FCEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2COc3ccccc32)C1 ZINC001112021225 1221203318 /nfs/dbraw/zinc/20/33/18/1221203318.db2.gz AHGGZKXXQAXHNJ-UVFQYZLESA-N 1 1 368.437 0.773 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001112026732 1221205646 /nfs/dbraw/zinc/20/56/46/1221205646.db2.gz CPZABOMAYFFAFH-KNBMTAEXSA-N 1 1 361.486 0.769 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001112026732 1221205649 /nfs/dbraw/zinc/20/56/49/1221205649.db2.gz CPZABOMAYFFAFH-KNBMTAEXSA-N 1 1 361.486 0.769 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C(F)(F)F ZINC001112043604 1221206765 /nfs/dbraw/zinc/20/67/65/1221206765.db2.gz FNKOUPZRRVPOKA-CYZMBNFOSA-N 1 1 371.363 0.151 20 30 FCEDMO Cc1cccnc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112079228 1221208021 /nfs/dbraw/zinc/20/80/21/1221208021.db2.gz IRMFYWLKUPBBOM-VXGBXAGGSA-N 1 1 369.347 0.622 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)ncn2)C[C@H]1C(F)(F)F ZINC001112082610 1221208177 /nfs/dbraw/zinc/20/81/77/1221208177.db2.gz HNMYXNBAUNNJFQ-DGCLKSJQSA-N 1 1 371.363 0.680 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C(F)(F)F ZINC001112177156 1221212788 /nfs/dbraw/zinc/21/27/88/1221212788.db2.gz UUPFRSSTQXCLNX-IJLUTSLNSA-N 1 1 371.363 0.449 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C(F)(F)F ZINC001112218577 1221216755 /nfs/dbraw/zinc/21/67/55/1221216755.db2.gz JBRGEANZTXOIQS-IJLUTSLNSA-N 1 1 371.363 0.449 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1ccn[nH]1)C2 ZINC001112290335 1221232727 /nfs/dbraw/zinc/23/27/27/1221232727.db2.gz JDJVMVXCLPYWEM-VCBZYWHSSA-N 1 1 357.458 0.308 20 30 FCEDMO C#CCOc1ccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000784771136 1221258274 /nfs/dbraw/zinc/25/82/74/1221258274.db2.gz WWIPXMYADXOJIJ-UHFFFAOYSA-N 1 1 355.398 0.753 20 30 FCEDMO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC000797530624 1221273709 /nfs/dbraw/zinc/27/37/09/1221273709.db2.gz VTFKJVCYZYZFTE-SFHVURJKSA-N 1 1 368.481 0.749 20 30 FCEDMO C[N@H+]1CCN(CCNC(=O)NCCNc2ncccc2C#N)CC1(C)C ZINC000799396172 1221309288 /nfs/dbraw/zinc/30/92/88/1221309288.db2.gz FILDRXNAYRASAX-UHFFFAOYSA-N 1 1 359.478 0.690 20 30 FCEDMO O=C(CCNC(=O)C1N=CC=CC1=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001116407227 1221360698 /nfs/dbraw/zinc/36/06/98/1221360698.db2.gz FAEKFVKBFWIRDT-IAFNSTAXSA-N 1 1 364.446 0.256 20 30 FCEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001116508432 1221367819 /nfs/dbraw/zinc/36/78/19/1221367819.db2.gz MWTMSDSXFXVBQY-OAHLLOKOSA-N 1 1 373.457 0.670 20 30 FCEDMO N#CCC[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC001116958073 1221409595 /nfs/dbraw/zinc/40/95/95/1221409595.db2.gz HUSCNQGHNCCWKN-KRWDZBQOSA-N 1 1 358.442 0.986 20 30 FCEDMO CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C#N)n1)C2 ZINC001277437536 1226044411 /nfs/dbraw/zinc/04/44/11/1226044411.db2.gz RXKMDSUZHYCXTK-LJQANCHMSA-N 1 1 355.442 0.970 20 30 FCEDMO C[C@H](CNC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC001117146845 1221481189 /nfs/dbraw/zinc/48/11/89/1221481189.db2.gz XBINLFCGMWNPCE-KDOFPFPSSA-N 1 1 370.453 0.746 20 30 FCEDMO N#CCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC001117259444 1221498170 /nfs/dbraw/zinc/49/81/70/1221498170.db2.gz TZIUVZIECOYALH-UHFFFAOYSA-N 1 1 356.426 0.902 20 30 FCEDMO CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001117860594 1221634194 /nfs/dbraw/zinc/63/41/94/1221634194.db2.gz XKYGWTLOIXFFKR-KRWDZBQOSA-N 1 1 370.453 0.860 20 30 FCEDMO CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001117860594 1221634199 /nfs/dbraw/zinc/63/41/99/1221634199.db2.gz XKYGWTLOIXFFKR-KRWDZBQOSA-N 1 1 370.453 0.860 20 30 FCEDMO C#CC1(O)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1 ZINC001230192375 1226062544 /nfs/dbraw/zinc/06/25/44/1226062544.db2.gz XDBGEEHHYNMPMD-QZTJIDSGSA-N 1 1 357.454 0.913 20 30 FCEDMO N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC001118207745 1221733887 /nfs/dbraw/zinc/73/38/87/1221733887.db2.gz QMTHXWAZRJKZEW-KSSFIOAISA-N 1 1 360.414 0.410 20 30 FCEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC001119309932 1221898648 /nfs/dbraw/zinc/89/86/48/1221898648.db2.gz UCWHUMSOIQVVSG-CQSZACIVSA-N 1 1 354.410 0.679 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2C(=O)c3ccccc3C2=O)C1 ZINC001119309932 1221898649 /nfs/dbraw/zinc/89/86/49/1221898649.db2.gz UCWHUMSOIQVVSG-CQSZACIVSA-N 1 1 354.410 0.679 20 30 FCEDMO N#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC001119605782 1221939804 /nfs/dbraw/zinc/93/98/04/1221939804.db2.gz YYLFENJDKDCJJX-IRXDYDNUSA-N 1 1 362.474 0.898 20 30 FCEDMO N#C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001119666149 1221947756 /nfs/dbraw/zinc/94/77/56/1221947756.db2.gz OAKKIWSFRXEOJX-MRXNPFEDSA-N 1 1 362.474 0.900 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001230598757 1226084242 /nfs/dbraw/zinc/08/42/42/1226084242.db2.gz YLQIPRCHCSSIER-SUMDDJOVSA-N 1 1 361.486 0.864 20 30 FCEDMO C[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC(=O)NCC#N)CC1 ZINC001230598595 1226084401 /nfs/dbraw/zinc/08/44/01/1226084401.db2.gz UDIAEQZIBRHVOH-KYJSFNMBSA-N 1 1 362.474 0.754 20 30 FCEDMO Cn1c(C#N)ccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC001121351306 1222167107 /nfs/dbraw/zinc/16/71/07/1222167107.db2.gz UDMVEHODFYAIJH-CQSZACIVSA-N 1 1 355.446 0.851 20 30 FCEDMO C=CCn1c(N2CC[NH+](C[C@H]3CCCO3)CC2)nnc1[C@]1(C)CNC(=O)C1 ZINC001121498085 1222184853 /nfs/dbraw/zinc/18/48/53/1222184853.db2.gz YQXOLECGEUGSRC-BEFAXECRSA-N 1 1 374.489 0.543 20 30 FCEDMO CCn1c(-c2ccc(C#N)[nH]2)nnc1N1CC[NH+](C(COC)COC)CC1 ZINC001121827702 1222215186 /nfs/dbraw/zinc/21/51/86/1222215186.db2.gz JMOBRFIFYQZUAM-UHFFFAOYSA-N 1 1 373.461 0.948 20 30 FCEDMO C=CCOCc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCOC ZINC001122251577 1222255630 /nfs/dbraw/zinc/25/56/30/1222255630.db2.gz VKDHFCZXXIHDQB-MRXNPFEDSA-N 1 1 365.478 0.928 20 30 FCEDMO C[NH+]1CCN(C(=O)CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC001124073821 1222379829 /nfs/dbraw/zinc/37/98/29/1222379829.db2.gz MWGXKDKFPVURBT-HNNXBMFYSA-N 1 1 373.432 0.414 20 30 FCEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)CC2 ZINC001231769011 1226125014 /nfs/dbraw/zinc/12/50/14/1226125014.db2.gz XYNWWOPWUXGWPZ-IBGZPJMESA-N 1 1 360.458 0.617 20 30 FCEDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@](O)(CC#N)C3)CC2)cc1 ZINC000829991962 1222453829 /nfs/dbraw/zinc/45/38/29/1222453829.db2.gz QPURNTWTJPRLAR-AZUAARDMSA-N 1 1 374.485 0.529 20 30 FCEDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@](O)(CC#N)C3)CC2)cc1 ZINC000829991962 1222453832 /nfs/dbraw/zinc/45/38/32/1222453832.db2.gz QPURNTWTJPRLAR-AZUAARDMSA-N 1 1 374.485 0.529 20 30 FCEDMO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)n4C)[C@@H]3C2)cc1C#N ZINC001277573662 1226132304 /nfs/dbraw/zinc/13/23/04/1226132304.db2.gz MQQGZZRKCGHBKD-XJKSGUPXSA-N 1 1 354.414 0.682 20 30 FCEDMO C#CCn1cc(CNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)cn1 ZINC000834610079 1222582667 /nfs/dbraw/zinc/58/26/67/1222582667.db2.gz WBCNWFZWGUVILU-IRXDYDNUSA-N 1 1 357.458 0.465 20 30 FCEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 ZINC000835139678 1222597768 /nfs/dbraw/zinc/59/77/68/1222597768.db2.gz JNOWZSBKQSARQZ-JKSUJKDBSA-N 1 1 374.441 0.523 20 30 FCEDMO C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(F)c1 ZINC000835825910 1222611214 /nfs/dbraw/zinc/61/12/14/1222611214.db2.gz JFZNTGVHRFJQPV-TXEJJXNPSA-N 1 1 365.380 0.798 20 30 FCEDMO C#Cc1cc(F)c(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(F)c1 ZINC000835825910 1222611217 /nfs/dbraw/zinc/61/12/17/1222611217.db2.gz JFZNTGVHRFJQPV-TXEJJXNPSA-N 1 1 365.380 0.798 20 30 FCEDMO C#CC[N@@H+](C)CCCNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000838172111 1222671867 /nfs/dbraw/zinc/67/18/67/1222671867.db2.gz DGLMSKZIOUDCMU-LJQANCHMSA-N 1 1 371.441 0.496 20 30 FCEDMO C#CC[N@H+](C)CCCNC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000838624210 1222688515 /nfs/dbraw/zinc/68/85/15/1222688515.db2.gz MOUQHGQKNBJEKB-UHFFFAOYSA-N 1 1 360.414 0.666 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCO[C@@H](C(C)C)C2)c1=O ZINC000840094158 1222771390 /nfs/dbraw/zinc/77/13/90/1222771390.db2.gz GQJPQHFMHDPUIK-OAHLLOKOSA-N 1 1 364.446 0.248 20 30 FCEDMO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1=O ZINC000840094158 1222771394 /nfs/dbraw/zinc/77/13/94/1222771394.db2.gz GQJPQHFMHDPUIK-OAHLLOKOSA-N 1 1 364.446 0.248 20 30 FCEDMO COC(=O)[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CC[N@@H+](C)C1 ZINC000840254704 1222781612 /nfs/dbraw/zinc/78/16/12/1222781612.db2.gz JLXSXPWATATYET-CQSZACIVSA-N 1 1 360.418 0.111 20 30 FCEDMO N#Cc1cccc(OC2CC[NH+]([C@@H]3CC(=O)N(CCCO)C3=O)CC2)c1 ZINC000840743420 1222802320 /nfs/dbraw/zinc/80/23/20/1222802320.db2.gz XGMBOBFOCDSJPJ-QGZVFWFLSA-N 1 1 357.410 0.911 20 30 FCEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149839500 1222890549 /nfs/dbraw/zinc/89/05/49/1222890549.db2.gz WDYAUQMBTUDEEN-LBPRGKRZSA-N 1 1 352.398 0.951 20 30 FCEDMO C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001150299861 1222897357 /nfs/dbraw/zinc/89/73/57/1222897357.db2.gz VZIDUSGHLQJGQG-IXDOHACOSA-N 1 1 367.490 0.973 20 30 FCEDMO C#CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H](O)COc3ccccc3)C2)C1=O ZINC001277703235 1226164027 /nfs/dbraw/zinc/16/40/27/1226164027.db2.gz BGQHPIIODDGKBW-UZLBHIALSA-N 1 1 356.422 0.901 20 30 FCEDMO COCCC1(NC(=O)[C@H]2OCC[C@H]2C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001151326436 1222922971 /nfs/dbraw/zinc/92/29/71/1222922971.db2.gz CDMCGNYUXVCNFA-ZBFHGGJFSA-N 1 1 366.462 0.038 20 30 FCEDMO C#CCNC(=O)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001151351606 1222923987 /nfs/dbraw/zinc/92/39/87/1222923987.db2.gz CSDFJKOWZSMGGT-DLBZAZTESA-N 1 1 361.486 0.769 20 30 FCEDMO C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(COCCOC)C2=O)CC1 ZINC001277710764 1226166088 /nfs/dbraw/zinc/16/60/88/1226166088.db2.gz BLQSYAXCDXJMRZ-HKUYNNGSSA-N 1 1 368.474 0.322 20 30 FCEDMO C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3cc(C)nn3C)C2=O)C1 ZINC001277712407 1226167886 /nfs/dbraw/zinc/16/78/86/1226167886.db2.gz PFOOJWAJXLBLRQ-PKOBYXMFSA-N 1 1 360.458 0.164 20 30 FCEDMO C#CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCN(C[C@@H]1COC(C)(C)O1)C2=O ZINC001277712411 1226168103 /nfs/dbraw/zinc/16/81/03/1226168103.db2.gz PIYAAHKTSZROEH-GPMSIDNRSA-N 1 1 366.458 0.216 20 30 FCEDMO C#CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCN(COC(=O)C(C)(C)C)C2=O ZINC001277712760 1226168448 /nfs/dbraw/zinc/16/84/48/1226168448.db2.gz RGNCRFYWFYKVLF-DNVCBOLYSA-N 1 1 366.458 0.611 20 30 FCEDMO C#CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(Cc3cnoc3)C2=O)CC1 ZINC001277712599 1226168514 /nfs/dbraw/zinc/16/85/14/1226168514.db2.gz QEWLQFJOCLECBC-PKOBYXMFSA-N 1 1 361.442 0.890 20 30 FCEDMO C#Cc1cccc(NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001155272995 1223031422 /nfs/dbraw/zinc/03/14/22/1223031422.db2.gz GQERWDMYWMBNKI-XYPHTWIQSA-N 1 1 370.453 0.554 20 30 FCEDMO C#Cc1cccc(NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001155272995 1223031426 /nfs/dbraw/zinc/03/14/26/1223031426.db2.gz GQERWDMYWMBNKI-XYPHTWIQSA-N 1 1 370.453 0.554 20 30 FCEDMO C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973852 1223085471 /nfs/dbraw/zinc/08/54/71/1223085471.db2.gz UDOORFPKJVAAGM-FGTMMUONSA-N 1 1 362.518 0.779 20 30 FCEDMO CC(=O)N1CC2(C1)CN(c1[nH+]c(C)ccc1CC#N)C[C@H]2C(=O)N(C)C ZINC001158786544 1223109239 /nfs/dbraw/zinc/10/92/39/1223109239.db2.gz OKTHCMOWYYIXLI-INIZCTEOSA-N 1 1 355.442 0.829 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001160431412 1223159936 /nfs/dbraw/zinc/15/99/36/1223159936.db2.gz WEPINPGVNVEVRA-HZPDHXFCSA-N 1 1 355.442 0.401 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001160431412 1223159939 /nfs/dbraw/zinc/15/99/39/1223159939.db2.gz WEPINPGVNVEVRA-HZPDHXFCSA-N 1 1 355.442 0.401 20 30 FCEDMO C#CCOCCOCCNc1nc(N2CCC(C(=O)OC)CC2)cc[nH+]1 ZINC001160673340 1223168011 /nfs/dbraw/zinc/16/80/11/1223168011.db2.gz JCXXNLSCYAWWCX-UHFFFAOYSA-N 1 1 362.430 0.944 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC001160748356 1223171335 /nfs/dbraw/zinc/17/13/35/1223171335.db2.gz BCJTZZNCMKOTSP-IAGOWNOFSA-N 1 1 369.469 0.411 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC001160748356 1223171339 /nfs/dbraw/zinc/17/13/39/1223171339.db2.gz BCJTZZNCMKOTSP-IAGOWNOFSA-N 1 1 369.469 0.411 20 30 FCEDMO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)c3ccc(O)c(C#N)c3)C[C@H]1C2 ZINC001160799429 1223173828 /nfs/dbraw/zinc/17/38/28/1223173828.db2.gz GZDQTEJOJBMFIL-GJRWTSMGSA-N 1 1 355.394 0.735 20 30 FCEDMO C#CCCN1CCC[C@@H](Nc2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1=O ZINC001160899863 1223179769 /nfs/dbraw/zinc/17/97/69/1223179769.db2.gz PBWDRUKUXLOIKH-OAHLLOKOSA-N 1 1 370.457 0.343 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001161253705 1223193088 /nfs/dbraw/zinc/19/30/88/1223193088.db2.gz XXIVYQKGIAMRAT-IAGOWNOFSA-N 1 1 369.469 0.411 20 30 FCEDMO COCC1(CNC(=O)[C@H]2CC[C@@H](C)O2)CC[NH+](CC(=O)NCC#N)CC1 ZINC001162501036 1223217344 /nfs/dbraw/zinc/21/73/44/1223217344.db2.gz CLEPZNVIBOAOFH-HUUCEWRRSA-N 1 1 366.462 0.038 20 30 FCEDMO C[NH+]1CCN(C(=O)C2CCN(c3nc(C#N)c(C#N)nc3Cl)CC2)CC1 ZINC001165081495 1223241828 /nfs/dbraw/zinc/24/18/28/1223241828.db2.gz DRKXELONPPKHHO-UHFFFAOYSA-N 1 1 373.848 0.864 20 30 FCEDMO COC(=O)c1c[nH]c2nc[nH+]c(N3CCN(c4nccnc4C#N)CC3)c12 ZINC001166920220 1223289149 /nfs/dbraw/zinc/28/91/49/1223289149.db2.gz UQUQJOASVLVTAD-UHFFFAOYSA-N 1 1 364.369 0.733 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001205150668 1223313007 /nfs/dbraw/zinc/31/30/07/1223313007.db2.gz HOLNXAXXZYSENA-QZTJIDSGSA-N 1 1 371.441 0.695 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001205150668 1223313008 /nfs/dbraw/zinc/31/30/08/1223313008.db2.gz HOLNXAXXZYSENA-QZTJIDSGSA-N 1 1 371.441 0.695 20 30 FCEDMO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001205163507 1223314153 /nfs/dbraw/zinc/31/41/53/1223314153.db2.gz FHOCWLIKEDWFFP-GUDVDZBRSA-N 1 1 369.465 0.704 20 30 FCEDMO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001205163507 1223314155 /nfs/dbraw/zinc/31/41/55/1223314155.db2.gz FHOCWLIKEDWFFP-GUDVDZBRSA-N 1 1 369.465 0.704 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001205203016 1223315987 /nfs/dbraw/zinc/31/59/87/1223315987.db2.gz AFYFCIZCZXMQCY-GUDVDZBRSA-N 1 1 369.465 0.752 20 30 FCEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001205203016 1223315989 /nfs/dbraw/zinc/31/59/89/1223315989.db2.gz AFYFCIZCZXMQCY-GUDVDZBRSA-N 1 1 369.465 0.752 20 30 FCEDMO C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2cncn2)C1 ZINC001205217259 1223318116 /nfs/dbraw/zinc/31/81/16/1223318116.db2.gz YGXTXXBKPHOROQ-QZTJIDSGSA-N 1 1 355.442 0.928 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2ccnc2)C1 ZINC001205226511 1223318680 /nfs/dbraw/zinc/31/86/80/1223318680.db2.gz VHYDEXXHTGXIOL-RTBURBONSA-N 1 1 352.438 0.980 20 30 FCEDMO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)Cn2ccnc2)C1 ZINC001205226511 1223318682 /nfs/dbraw/zinc/31/86/82/1223318682.db2.gz VHYDEXXHTGXIOL-RTBURBONSA-N 1 1 352.438 0.980 20 30 FCEDMO CC[C@@H](F)C(=O)N1CC2(CC[NH+](CC(=O)NCC#N)CC2)[C@H]2COC[C@H]21 ZINC001205506122 1223328919 /nfs/dbraw/zinc/32/89/19/1223328919.db2.gz HFNWITMMTUBTPV-RRFJBIMHSA-N 1 1 366.437 0.314 20 30 FCEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)C[C@H]1C ZINC001206510048 1223360159 /nfs/dbraw/zinc/36/01/59/1223360159.db2.gz WUFJEVYELMAFRG-HZPDHXFCSA-N 1 1 364.490 0.518 20 30 FCEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)C[C@H]1C ZINC001206510048 1223360161 /nfs/dbraw/zinc/36/01/61/1223360161.db2.gz WUFJEVYELMAFRG-HZPDHXFCSA-N 1 1 364.490 0.518 20 30 FCEDMO COC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#Cc2ccccc2)C[C@H]1C ZINC001206598700 1223362918 /nfs/dbraw/zinc/36/29/18/1223362918.db2.gz IKJYGVZJTGJFHL-ZHALLVOQSA-N 1 1 371.481 0.873 20 30 FCEDMO COC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#Cc2ccccc2)C[C@H]1C ZINC001206598700 1223362922 /nfs/dbraw/zinc/36/29/22/1223362922.db2.gz IKJYGVZJTGJFHL-ZHALLVOQSA-N 1 1 371.481 0.873 20 30 FCEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001206782721 1223370501 /nfs/dbraw/zinc/37/05/01/1223370501.db2.gz VGNXQZWTJTVRFJ-IXDOHACOSA-N 1 1 369.506 0.947 20 30 FCEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOC)C[C@H]1C ZINC001206782721 1223370504 /nfs/dbraw/zinc/37/05/04/1223370504.db2.gz VGNXQZWTJTVRFJ-IXDOHACOSA-N 1 1 369.506 0.947 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C[C@H]1C ZINC001206892980 1223379468 /nfs/dbraw/zinc/37/94/68/1223379468.db2.gz RKLZEENKAXCOGZ-HLLBOEOZSA-N 1 1 370.453 0.590 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2)C[C@H]1C ZINC001206892980 1223379472 /nfs/dbraw/zinc/37/94/72/1223379472.db2.gz RKLZEENKAXCOGZ-HLLBOEOZSA-N 1 1 370.453 0.590 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@H]1C ZINC001206893079 1223379555 /nfs/dbraw/zinc/37/95/55/1223379555.db2.gz WSJIDAYMPFTTDQ-CRAIPNDOSA-N 1 1 357.454 0.814 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001206905283 1223384498 /nfs/dbraw/zinc/38/44/98/1223384498.db2.gz MSVNAYNTANHMIZ-HZPDHXFCSA-N 1 1 362.478 0.529 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001206905283 1223384503 /nfs/dbraw/zinc/38/45/03/1223384503.db2.gz MSVNAYNTANHMIZ-HZPDHXFCSA-N 1 1 362.478 0.529 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001206907876 1223385327 /nfs/dbraw/zinc/38/53/27/1223385327.db2.gz SXUXCRKZAXWGAY-NVXWUHKLSA-N 1 1 357.458 0.656 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncnc2)C1 ZINC001206907876 1223385328 /nfs/dbraw/zinc/38/53/28/1223385328.db2.gz SXUXCRKZAXWGAY-NVXWUHKLSA-N 1 1 357.458 0.656 20 30 FCEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001206912551 1223386053 /nfs/dbraw/zinc/38/60/53/1223386053.db2.gz RBNZBGKDNYXANR-HUUCEWRRSA-N 1 1 362.474 0.947 20 30 FCEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1C ZINC001206912347 1223386367 /nfs/dbraw/zinc/38/63/67/1223386367.db2.gz GUBOIGOIWKYNEX-KBAYOESNSA-N 1 1 361.486 0.864 20 30 FCEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1C ZINC001206912347 1223386371 /nfs/dbraw/zinc/38/63/71/1223386371.db2.gz GUBOIGOIWKYNEX-KBAYOESNSA-N 1 1 361.486 0.864 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001206944147 1223392249 /nfs/dbraw/zinc/39/22/49/1223392249.db2.gz VVOLVXMFDNPWRZ-UKRRQHHQSA-N 1 1 360.462 0.293 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001206944147 1223392253 /nfs/dbraw/zinc/39/22/53/1223392253.db2.gz VVOLVXMFDNPWRZ-UKRRQHHQSA-N 1 1 360.462 0.293 20 30 FCEDMO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C[C@H]1C ZINC001206946052 1223392674 /nfs/dbraw/zinc/39/26/74/1223392674.db2.gz HOPRQZIFPYDMLI-NXHRZFHOSA-N 1 1 361.486 0.720 20 30 FCEDMO 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C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)CCC[C@@H]12 ZINC001107579061 1259123785 /nfs/dbraw/zinc/12/37/85/1259123785.db2.gz QMRCDINIHINUCN-FRQCXROJSA-N 1 1 364.490 0.694 20 30 FCEDMO C#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@@H]12 ZINC001107600357 1259129578 /nfs/dbraw/zinc/12/95/78/1259129578.db2.gz VCLPLBITGMJHOH-DNVCBOLYSA-N 1 1 357.458 0.375 20 30 FCEDMO CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3nc4n(c3=O)CCCC4)CCC[C@@H]12 ZINC001107600198 1259129682 /nfs/dbraw/zinc/12/96/82/1259129682.db2.gz QPLJJJHNCHMUMJ-OXQOHEQNSA-N 1 1 371.485 0.765 20 30 FCEDMO C=CCNC(=O)CN1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609495 1259132346 /nfs/dbraw/zinc/13/23/46/1259132346.db2.gz VAWAITCZUIVLAY-SQGPQFPESA-N 1 1 362.518 0.991 20 30 FCEDMO C=CCNC(=O)CN1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609495 1259132347 /nfs/dbraw/zinc/13/23/47/1259132347.db2.gz VAWAITCZUIVLAY-SQGPQFPESA-N 1 1 362.518 0.991 20 30 FCEDMO C[N@@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(CC(=O)NCC#N)CC3)C1 ZINC001107609451 1259132902 /nfs/dbraw/zinc/13/29/02/1259132902.db2.gz SWSGOPXEXIEPOF-GPMSIDNRSA-N 1 1 361.490 0.329 20 30 FCEDMO C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2N(CC(=O)NCC#N)CC3)C1 ZINC001107609451 1259132906 /nfs/dbraw/zinc/13/29/06/1259132906.db2.gz SWSGOPXEXIEPOF-GPMSIDNRSA-N 1 1 361.490 0.329 20 30 FCEDMO C#Cc1ccc(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC(N)=O)CC3)cn1 ZINC001107610046 1259134487 /nfs/dbraw/zinc/13/44/87/1259134487.db2.gz OGTYTQANPKNMIS-DNVCBOLYSA-N 1 1 369.425 0.232 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3ccccc3=O)CCC[C@@H]12 ZINC001107629897 1259138141 /nfs/dbraw/zinc/13/81/41/1259138141.db2.gz NLQWOKCVMCYKTB-YLJYHZDGSA-N 1 1 357.454 0.859 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccnc3C(N)=O)CCC[C@@H]12 ZINC001107640796 1259141634 /nfs/dbraw/zinc/14/16/34/1259141634.db2.gz KHLPPGGSQSMTDT-OXQOHEQNSA-N 1 1 370.453 0.805 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)nc3)CCC[C@@H]12 ZINC001107652087 1259144059 /nfs/dbraw/zinc/14/40/59/1259144059.db2.gz AKFIQKHAJDAHTR-YLJYHZDGSA-N 1 1 370.453 0.805 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3cn(C)nn3)CCC[C@@H]12 ZINC001107656121 1259144145 /nfs/dbraw/zinc/14/41/45/1259144145.db2.gz BFQQGPLZBUJRNS-IEBWSBKVSA-N 1 1 359.474 0.758 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001127609028 1259183472 /nfs/dbraw/zinc/18/34/72/1259183472.db2.gz MQXGMPNKBIGXMW-UAGQMJEPSA-N 1 1 363.462 0.502 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001128757360 1259226356 /nfs/dbraw/zinc/22/63/56/1259226356.db2.gz BWYVKGDQCZXTEL-CVEARBPZSA-N 1 1 359.434 0.178 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001128757360 1259226365 /nfs/dbraw/zinc/22/63/65/1259226365.db2.gz BWYVKGDQCZXTEL-CVEARBPZSA-N 1 1 359.434 0.178 20 30 FCEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128821372 1259240046 /nfs/dbraw/zinc/24/00/46/1259240046.db2.gz SGGAODJJRHTLSX-OAGGEKHMSA-N 1 1 360.462 0.645 20 30 FCEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128821027 1259241220 /nfs/dbraw/zinc/24/12/20/1259241220.db2.gz MLJAVZLPWWXXRA-OAGGEKHMSA-N 1 1 362.478 0.869 20 30 FCEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2n2ccnn2)c1 ZINC001128877972 1259252717 /nfs/dbraw/zinc/25/27/17/1259252717.db2.gz KYFMWGYVHHLMCK-SJORKVTESA-N 1 1 369.429 0.560 20 30 FCEDMO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2n2ccnn2)c1 ZINC001128877972 1259252723 /nfs/dbraw/zinc/25/27/23/1259252723.db2.gz KYFMWGYVHHLMCK-SJORKVTESA-N 1 1 369.429 0.560 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCCOC)C[C@@H]1n1ccnn1 ZINC001128929108 1259265564 /nfs/dbraw/zinc/26/55/64/1259265564.db2.gz BPVWLRHLQTWGFX-SOLBZPMBSA-N 1 1 365.478 0.763 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1n1ccnn1 ZINC001128962670 1259276254 /nfs/dbraw/zinc/27/62/54/1259276254.db2.gz YTKIYLIZPDUFIY-SOLBZPMBSA-N 1 1 363.462 0.516 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001128980277 1259279957 /nfs/dbraw/zinc/27/99/57/1259279957.db2.gz VKWLMWVIBZBSGI-JQHSSLGASA-N 1 1 368.441 0.562 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001128980277 1259279965 /nfs/dbraw/zinc/27/99/65/1259279965.db2.gz VKWLMWVIBZBSGI-JQHSSLGASA-N 1 1 368.441 0.562 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](OCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001128979845 1259280545 /nfs/dbraw/zinc/28/05/45/1259280545.db2.gz BZVBRSGXUPYLJL-IXDOHACOSA-N 1 1 365.478 0.883 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](OCC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001128979845 1259280550 /nfs/dbraw/zinc/28/05/50/1259280550.db2.gz BZVBRSGXUPYLJL-IXDOHACOSA-N 1 1 365.478 0.883 20 30 FCEDMO CO[C@H](C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001128985726 1259283045 /nfs/dbraw/zinc/28/30/45/1259283045.db2.gz SCVQRXGJFYKLGG-FGTMMUONSA-N 1 1 357.458 0.848 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](n2ccnn2)C1 ZINC001129009755 1259289633 /nfs/dbraw/zinc/28/96/33/1259289633.db2.gz OLWGHXLCMZWKFQ-CABCVRRESA-N 1 1 358.402 0.219 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2)[C@@H](n2ccnn2)C1 ZINC001129009755 1259289638 /nfs/dbraw/zinc/28/96/38/1259289638.db2.gz OLWGHXLCMZWKFQ-CABCVRRESA-N 1 1 358.402 0.219 20 30 FCEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1n1ccnn1 ZINC001129029651 1259292821 /nfs/dbraw/zinc/29/28/21/1259292821.db2.gz GVWFINZKDVLJFV-XHSDSOJGSA-N 1 1 370.461 0.755 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001129049280 1259299286 /nfs/dbraw/zinc/29/92/86/1259299286.db2.gz VRXKHLXWCRCBDH-CVEARBPZSA-N 1 1 359.434 0.178 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001129060368 1259300815 /nfs/dbraw/zinc/30/08/15/1259300815.db2.gz OIVAORXARSMCEI-SJORKVTESA-N 1 1 370.457 0.907 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001129071968 1259305512 /nfs/dbraw/zinc/30/55/12/1259305512.db2.gz RPLXJFQMRCEYAO-OIISXLGYSA-N 1 1 370.457 0.987 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129071476 1259305527 /nfs/dbraw/zinc/30/55/27/1259305527.db2.gz CRMZVSSLUNEGBQ-CVEARBPZSA-N 1 1 359.434 0.146 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)COCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129071476 1259305535 /nfs/dbraw/zinc/30/55/35/1259305535.db2.gz CRMZVSSLUNEGBQ-CVEARBPZSA-N 1 1 359.434 0.146 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129093203 1259310240 /nfs/dbraw/zinc/31/02/40/1259310240.db2.gz BROLNDCBBWSFLE-UPJWGTAASA-N 1 1 370.404 0.356 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001129122922 1259322572 /nfs/dbraw/zinc/32/25/72/1259322572.db2.gz XSJULPIAVXUHKH-KGLIPLIRSA-N 1 1 358.402 0.592 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129144731 1259329005 /nfs/dbraw/zinc/32/90/05/1259329005.db2.gz RNZFWQADOKWFDH-CABCVRRESA-N 1 1 359.434 0.910 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129188820 1259339536 /nfs/dbraw/zinc/33/95/36/1259339536.db2.gz CBWKNGGTOVXXRM-XHSDSOJGSA-N 1 1 358.450 0.514 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129188820 1259339545 /nfs/dbraw/zinc/33/95/45/1259339545.db2.gz CBWKNGGTOVXXRM-XHSDSOJGSA-N 1 1 358.450 0.514 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001129189237 1259339819 /nfs/dbraw/zinc/33/98/19/1259339819.db2.gz KPLOXMMXKGVVSV-UAGQMJEPSA-N 1 1 371.445 0.416 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001129189237 1259339823 /nfs/dbraw/zinc/33/98/23/1259339823.db2.gz KPLOXMMXKGVVSV-UAGQMJEPSA-N 1 1 371.445 0.416 20 30 FCEDMO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129189275 1259340015 /nfs/dbraw/zinc/34/00/15/1259340015.db2.gz LPTMZCJAMXDJNG-CVEARBPZSA-N 1 1 356.434 0.105 20 30 FCEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129189275 1259340022 /nfs/dbraw/zinc/34/00/22/1259340022.db2.gz LPTMZCJAMXDJNG-CVEARBPZSA-N 1 1 356.434 0.105 20 30 FCEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1n1ccnn1 ZINC001129209956 1259345487 /nfs/dbraw/zinc/34/54/87/1259345487.db2.gz LZAGHKSYXDDOKP-XHSDSOJGSA-N 1 1 370.461 0.755 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCOCC=C)C[C@@H]2n2ccnn2)c1 ZINC001129243765 1259353502 /nfs/dbraw/zinc/35/35/02/1259353502.db2.gz VKJLNYVZPBPZNS-MSOLQXFVSA-N 1 1 366.425 0.512 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCOCC=C)C[C@@H]2n2ccnn2)c1 ZINC001129243765 1259353509 /nfs/dbraw/zinc/35/35/09/1259353509.db2.gz VKJLNYVZPBPZNS-MSOLQXFVSA-N 1 1 366.425 0.512 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129280343 1259363591 /nfs/dbraw/zinc/36/35/91/1259363591.db2.gz OXTSFQPOPUJLNW-CVEARBPZSA-N 1 1 369.429 0.021 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129280343 1259363598 /nfs/dbraw/zinc/36/35/98/1259363598.db2.gz OXTSFQPOPUJLNW-CVEARBPZSA-N 1 1 369.429 0.021 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)COc2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001129284699 1259364840 /nfs/dbraw/zinc/36/48/40/1259364840.db2.gz VRBQKEUXFGOQJD-SJORKVTESA-N 1 1 357.414 0.893 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)COc2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001129284699 1259364848 /nfs/dbraw/zinc/36/48/48/1259364848.db2.gz VRBQKEUXFGOQJD-SJORKVTESA-N 1 1 357.414 0.893 20 30 FCEDMO 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PIJHERACHZGTAJ-KRXQYRFLSA-N 1 1 366.437 0.551 20 30 FCEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](F)(C#N)C2)C[C@H](C)O1 ZINC001325176972 1264796191 /nfs/dbraw/zinc/79/61/91/1264796191.db2.gz PIJHERACHZGTAJ-KRXQYRFLSA-N 1 1 366.437 0.551 20 30 FCEDMO N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCC[N@H+](CCCO)C3)CC2=O)cc1 ZINC001325232525 1264818210 /nfs/dbraw/zinc/81/82/10/1264818210.db2.gz RPDVNHNTRWFULE-DLBZAZTESA-N 1 1 370.453 0.874 20 30 FCEDMO CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001325951630 1265028541 /nfs/dbraw/zinc/02/85/41/1265028541.db2.gz BERHEWVNNLGMNK-UXLLHSPISA-N 1 1 361.490 0.422 20 30 FCEDMO CN(C(=O)C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001325951630 1265028549 /nfs/dbraw/zinc/02/85/49/1265028549.db2.gz BERHEWVNNLGMNK-UXLLHSPISA-N 1 1 361.490 0.422 20 30 FCEDMO C=C[C@@H](COC)NC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001325971922 1265034617 /nfs/dbraw/zinc/03/46/17/1265034617.db2.gz OIHUSOIVZPMNCQ-MSOLQXFVSA-N 1 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C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001338884865 1268113821 /nfs/dbraw/zinc/11/38/21/1268113821.db2.gz NARALNLBRSROQZ-CVEARBPZSA-N 1 1 374.489 0.444 20 30 FCEDMO C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001338963805 1268131589 /nfs/dbraw/zinc/13/15/89/1268131589.db2.gz QYCVNUWTRSZQRR-NEPJUHHUSA-N 1 1 359.434 0.812 20 30 FCEDMO C=CCn1c(-c2cn[nH]n2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001339010666 1268148392 /nfs/dbraw/zinc/14/83/92/1268148392.db2.gz XBEINEXCOFQHCO-CYBMUJFWSA-N 1 1 358.450 0.939 20 30 FCEDMO C=CCn1c(-c2c[nH]nn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001339010666 1268148396 /nfs/dbraw/zinc/14/83/96/1268148396.db2.gz XBEINEXCOFQHCO-CYBMUJFWSA-N 1 1 358.450 0.939 20 30 FCEDMO C=CCn1c(-c2c[nH]nn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001339010666 1268148400 /nfs/dbraw/zinc/14/84/00/1268148400.db2.gz XBEINEXCOFQHCO-CYBMUJFWSA-N 1 1 358.450 0.939 20 30 FCEDMO C=CCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001339037070 1268154632 /nfs/dbraw/zinc/15/46/32/1268154632.db2.gz MMJMHFNRJZQLEX-CYBMUJFWSA-N 1 1 350.423 0.930 20 30 FCEDMO C=CCn1c(-c2ccc(C#N)n2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001339067090 1268160790 /nfs/dbraw/zinc/16/07/90/1268160790.db2.gz AWCKZAVMHIWKOH-OAHLLOKOSA-N 1 1 353.430 0.862 20 30 FCEDMO C=CCn1c(-c2ccc(C#N)n2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001339067090 1268160794 /nfs/dbraw/zinc/16/07/94/1268160794.db2.gz AWCKZAVMHIWKOH-OAHLLOKOSA-N 1 1 353.430 0.862 20 30 FCEDMO C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001339086759 1268164297 /nfs/dbraw/zinc/16/42/97/1268164297.db2.gz BCRDWMNAYUEPRW-JKSUJKDBSA-N 1 1 374.489 0.759 20 30 FCEDMO C=CCn1c(N2CC[NH+](CCOCC)CC2)nnc1C1(O)CCOCC1 ZINC001339122359 1268172266 /nfs/dbraw/zinc/17/22/66/1268172266.db2.gz CAXIWSGSUVUWBS-UHFFFAOYSA-N 1 1 365.478 0.621 20 30 FCEDMO C=CCn1c(-c2cn(CCO)nn2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001339138332 1268174659 /nfs/dbraw/zinc/17/46/59/1268174659.db2.gz VTRLVDFXHMOIML-KGLIPLIRSA-N 1 1 360.466 0.634 20 30 FCEDMO C=CCn1c([C@@H](O)COC)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001339146739 1268176477 /nfs/dbraw/zinc/17/64/77/1268176477.db2.gz WNMIVNZCPXFKIC-HNNXBMFYSA-N 1 1 353.467 0.691 20 30 FCEDMO C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001339212723 1268187560 /nfs/dbraw/zinc/18/75/60/1268187560.db2.gz YKUOKYPFQKCKMO-UHFFFAOYSA-N 1 1 370.523 0.824 20 30 FCEDMO Cn1c(N2CC[NH+](C[C@@H]3CCCO3)CC2)nnc1C1(C#N)CCOCC1 ZINC001339507436 1268255990 /nfs/dbraw/zinc/25/59/90/1268255990.db2.gz ZCWPOZCUMIKEBY-HNNXBMFYSA-N 1 1 360.462 0.688 20 30 FCEDMO C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001339597690 1268277862 /nfs/dbraw/zinc/27/78/62/1268277862.db2.gz CSVAQOQAKOUSJU-MRXNPFEDSA-N 1 1 364.494 0.189 20 30 FCEDMO Cn1c(C2CCN(CCC#N)CC2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001339627132 1268286087 /nfs/dbraw/zinc/28/60/87/1268286087.db2.gz FBBBFKCHMGSJKI-QGZVFWFLSA-N 1 1 373.505 0.819 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001339774457 1268326056 /nfs/dbraw/zinc/32/60/56/1268326056.db2.gz MLNMNQGVBMGQRI-OLZOCXBDSA-N 1 1 354.480 0.346 20 30 FCEDMO C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001339774457 1268326063 /nfs/dbraw/zinc/32/60/63/1268326063.db2.gz MLNMNQGVBMGQRI-OLZOCXBDSA-N 1 1 354.480 0.346 20 30 FCEDMO COCC(COC)[NH+]1CCN(c2nnc(-c3ccc(C#N)[nH]3)n2C)CC1 ZINC001339853902 1268347676 /nfs/dbraw/zinc/34/76/76/1268347676.db2.gz FCDQYBUHJMIFKI-UHFFFAOYSA-N 1 1 359.434 0.465 20 30 FCEDMO C#CCCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001340352939 1268519872 /nfs/dbraw/zinc/51/98/72/1268519872.db2.gz KIDPHEKIDUSMLH-UHFFFAOYSA-N 1 1 372.473 0.025 20 30 FCEDMO C=CCn1c(-c2cc3nccn3cn2)nnc1N1CC[NH+](CCOC)CC1 ZINC001340359776 1268521713 /nfs/dbraw/zinc/52/17/13/1268521713.db2.gz XDNCJWKEIXMNPU-UHFFFAOYSA-N 1 1 368.445 0.942 20 30 FCEDMO C=CCn1c(-c2ccc(=O)[nH]n2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001340373442 1268525062 /nfs/dbraw/zinc/52/50/62/1268525062.db2.gz ZNOUZWPIEUKZFX-CYBMUJFWSA-N 1 1 357.418 0.538 20 30 FCEDMO CC#CCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001340503370 1268569451 /nfs/dbraw/zinc/56/94/51/1268569451.db2.gz JSXGOJRTVVLELF-KRWDZBQOSA-N 1 1 356.470 0.843 20 30 FCEDMO C=CCn1c(N2CC[NH+](CCOCC)CC2)nnc1[C@](C)(O)COC ZINC001340600244 1268599327 /nfs/dbraw/zinc/59/93/27/1268599327.db2.gz OZTXZMLGISVRIV-QGZVFWFLSA-N 1 1 353.467 0.477 20 30 FCEDMO C=CCn1c(-c2nc(C3CC3)nn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001340620355 1268606172 /nfs/dbraw/zinc/60/61/72/1268606172.db2.gz KXYHCFWAYUALSD-UHFFFAOYSA-N 1 1 372.477 0.905 20 30 FCEDMO C=CCn1c(Cn2cc(CCO)nn2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001340783635 1268654205 /nfs/dbraw/zinc/65/42/05/1268654205.db2.gz RTDBCWSINJKLQJ-CABCVRRESA-N 1 1 374.493 0.558 20 30 FCEDMO C=CCn1c([C@@H](O)COC)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001340792863 1268658536 /nfs/dbraw/zinc/65/85/36/1268658536.db2.gz QRZOBTNSARAFNY-GJZGRUSLSA-N 1 1 351.451 0.302 20 30 FCEDMO C#CCN1CCC[C@H]1c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1CC ZINC001340957295 1268723760 /nfs/dbraw/zinc/72/37/60/1268723760.db2.gz CPZYOUJXPQVGGH-SJORKVTESA-N 1 1 358.490 0.979 20 30 FCEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001341181701 1268841072 /nfs/dbraw/zinc/84/10/72/1268841072.db2.gz KHCFRLJCQLPYQF-RYRKJORJSA-N 1 1 368.437 0.641 20 30 FCEDMO C#CCN1CCCC[C@@H]1c1nnc(N2CC[NH+]([C@@H]3CCOC3)CC2)n1C ZINC001341668451 1269142132 /nfs/dbraw/zinc/14/21/32/1269142132.db2.gz QGLLSZHJEMXLQQ-IAGOWNOFSA-N 1 1 358.490 0.886 20 30 FCEDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC001341898893 1269259209 /nfs/dbraw/zinc/25/92/09/1269259209.db2.gz OUKHXSWSGBPDOK-AWEZNQCLSA-N 1 1 364.833 0.665 20 30 FCEDMO C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001341952885 1269276783 /nfs/dbraw/zinc/27/67/83/1269276783.db2.gz XORLCLKBBXZHHQ-HZPDHXFCSA-N 1 1 374.489 0.711 20 30 FCEDMO C=C(C)Cn1c([C@H]2CC(=O)N(C)C2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001341952886 1269276884 /nfs/dbraw/zinc/27/68/84/1269276884.db2.gz XORLCLKBBXZHHQ-JKSUJKDBSA-N 1 1 374.489 0.711 20 30 FCEDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1C ZINC001341987174 1269291666 /nfs/dbraw/zinc/29/16/66/1269291666.db2.gz PFGUBSKSOHBBFG-MRXNPFEDSA-N 1 1 366.425 0.778 20 30 FCEDMO C=C(C)Cn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001342026577 1269310881 /nfs/dbraw/zinc/31/08/81/1269310881.db2.gz ZFWFGHIOTFJKBF-GFCCVEGCSA-N 1 1 359.434 0.814 20 30 FCEDMO C=C(C)Cn1c([C@@H]2CCNC(=O)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001342258730 1269410920 /nfs/dbraw/zinc/41/09/20/1269410920.db2.gz FOVGRCPDAHUYLM-OAHLLOKOSA-N 1 1 362.478 0.616 20 30 FCEDMO C=C(C)Cn1c(C(N)=O)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001342331102 1269432381 /nfs/dbraw/zinc/43/23/81/1269432381.db2.gz YRDAJCPGIIRYRW-CQSZACIVSA-N 1 1 350.467 0.890 20 30 FCEDMO C=CCn1c(C[N+](=O)[O-])nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001342358884 1269442565 /nfs/dbraw/zinc/44/25/65/1269442565.db2.gz MMJMHFNRJZQLEX-ZDUSSCGKSA-N 1 1 350.423 0.930 20 30 FCEDMO COCCn1c(N2CC[C@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C#N ZINC001343265834 1269836314 /nfs/dbraw/zinc/83/63/14/1269836314.db2.gz NDTIEVZUQXTWRA-OAHLLOKOSA-N 1 1 362.478 0.884 20 30 FCEDMO C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3c[nH]nn3)nc2)CCCO1 ZINC001574894585 1271654774 /nfs/dbraw/zinc/65/47/74/1271654774.db2.gz CRJGDXOIIGXBIS-HNNXBMFYSA-N 1 1 354.414 0.711 20 30 FCEDMO C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2Cc2cn[nH]n2)CC1 ZINC001574928837 1271680049 /nfs/dbraw/zinc/68/00/49/1271680049.db2.gz ZBPJAJUSMXVMSC-SFHVURJKSA-N 1 1 374.489 0.342 20 30 FCEDMO C#CC[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001574928837 1271680058 /nfs/dbraw/zinc/68/00/58/1271680058.db2.gz ZBPJAJUSMXVMSC-SFHVURJKSA-N 1 1 374.489 0.342 20 30 FCEDMO C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CCCN2Cc2c[nH]nn2)CC1 ZINC001574928837 1271680063 /nfs/dbraw/zinc/68/00/63/1271680063.db2.gz ZBPJAJUSMXVMSC-SFHVURJKSA-N 1 1 374.489 0.342 20 30 FCEDMO C#CCN(C(=O)c1ccc(=O)[nH]c1)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC001574928382 1271680249 /nfs/dbraw/zinc/68/02/49/1271680249.db2.gz LFQGDAILBBXPSO-UHFFFAOYSA-N 1 1 354.414 0.688 20 30 FCEDMO C#CCN(Cc1cn[nH]n1)c1nnc(CC)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001574966896 1271687384 /nfs/dbraw/zinc/68/73/84/1271687384.db2.gz KNYRHXNZRYUOON-UHFFFAOYSA-N 1 1 372.477 0.709 20 30 FCEDMO C#CCN(Cc1cn[nH]n1)c1nnc(CC)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001574966896 1271687388 /nfs/dbraw/zinc/68/73/88/1271687388.db2.gz KNYRHXNZRYUOON-UHFFFAOYSA-N 1 1 372.477 0.709 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCCCc2cn[nH]n2)[C@H]1C ZINC001575005019 1271691146 /nfs/dbraw/zinc/69/11/46/1271691146.db2.gz RYHHVFHLKCNOMB-GOEBONIOSA-N 1 1 360.462 0.236 20 30 FCEDMO C#CCO[C@H](C)C(=O)NCC1(COC)CC[NH+](CCc2c[nH]nn2)CC1 ZINC001575013131 1271693773 /nfs/dbraw/zinc/69/37/73/1271693773.db2.gz MHHBESOLUDQGGC-OAHLLOKOSA-N 1 1 363.462 0.230 20 30 FCEDMO C#Cc1ccc(C(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NCc2c[nH]nn2)cc1 ZINC001575023205 1271697882 /nfs/dbraw/zinc/69/78/82/1271697882.db2.gz ZMOZMQWLGGHOPG-ZIAGYGMSSA-N 1 1 368.441 0.541 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCc3cn[nH]n3)C2)c1 ZINC001575032390 1271698508 /nfs/dbraw/zinc/69/85/08/1271698508.db2.gz BGEXIUAHMRUCNW-YJBOKZPZSA-N 1 1 350.426 0.960 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCc3c[nH]nn3)C2)c1 ZINC001575032390 1271698512 /nfs/dbraw/zinc/69/85/12/1271698512.db2.gz BGEXIUAHMRUCNW-YJBOKZPZSA-N 1 1 350.426 0.960 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCc3c[nH]nn3)C2)c1 ZINC001575032390 1271698524 /nfs/dbraw/zinc/69/85/24/1271698524.db2.gz BGEXIUAHMRUCNW-YJBOKZPZSA-N 1 1 350.426 0.960 20 30 FCEDMO C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)C1 ZINC001575048720 1271700530 /nfs/dbraw/zinc/70/05/30/1271700530.db2.gz QFUWQGCCMWKWGX-IRXDYDNUSA-N 1 1 362.478 0.552 20 30 FCEDMO C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)c2cncc(-c3c[nH]nn3)c2)C1 ZINC001575049948 1271701388 /nfs/dbraw/zinc/70/13/88/1271701388.db2.gz UKAXLPUVVOJDEH-GOSISDBHSA-N 1 1 356.430 1.000 20 30 FCEDMO C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575049948 1271701394 /nfs/dbraw/zinc/70/13/94/1271701394.db2.gz UKAXLPUVVOJDEH-GOSISDBHSA-N 1 1 356.430 1.000 20 30 FCEDMO C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575049948 1271701402 /nfs/dbraw/zinc/70/14/02/1271701402.db2.gz UKAXLPUVVOJDEH-GOSISDBHSA-N 1 1 356.430 1.000 20 30 FCEDMO C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)c2cncc(-c3c[nH]nn3)c2)C1 ZINC001575049949 1271702008 /nfs/dbraw/zinc/70/20/08/1271702008.db2.gz UKAXLPUVVOJDEH-SFHVURJKSA-N 1 1 356.430 1.000 20 30 FCEDMO C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575049949 1271702016 /nfs/dbraw/zinc/70/20/16/1271702016.db2.gz UKAXLPUVVOJDEH-SFHVURJKSA-N 1 1 356.430 1.000 20 30 FCEDMO C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)c2cncc(-c3cn[nH]n3)c2)C1 ZINC001575049949 1271702023 /nfs/dbraw/zinc/70/20/23/1271702023.db2.gz UKAXLPUVVOJDEH-SFHVURJKSA-N 1 1 356.430 1.000 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1CCOC2(CCC([NH2+]Cc3c[nH]nn3)CC2)C1 ZINC001575074065 1271709744 /nfs/dbraw/zinc/70/97/44/1271709744.db2.gz UXOLIVCUUXNCPE-ZCDVPAHGSA-N 1 1 363.462 0.762 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)N1CCOC2(CCC([NH2+]Cc3cn[nH]n3)CC2)C1 ZINC001575074065 1271709751 /nfs/dbraw/zinc/70/97/51/1271709751.db2.gz UXOLIVCUUXNCPE-ZCDVPAHGSA-N 1 1 363.462 0.762 20 30 FCEDMO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NCc3cn[nH]n3)C[C@@]2(C)C1 ZINC001575085797 1271713899 /nfs/dbraw/zinc/71/38/99/1271713899.db2.gz NUHFLOZOMZDAOQ-LBTNJELSSA-N 1 1 360.462 0.556 20 30 FCEDMO C=CCCC(=O)N1C[C@H]2C[N@@H+]([C@H](C)C(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575085797 1271713905 /nfs/dbraw/zinc/71/39/05/1271713905.db2.gz NUHFLOZOMZDAOQ-LBTNJELSSA-N 1 1 360.462 0.556 20 30 FCEDMO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)C(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575085797 1271713910 /nfs/dbraw/zinc/71/39/10/1271713910.db2.gz NUHFLOZOMZDAOQ-LBTNJELSSA-N 1 1 360.462 0.556 20 30 FCEDMO C=CC[NH+]1CCC(N(Cc2c[nH]nn2)C(=O)Cn2nnnc2C(C)C)CC1 ZINC001575103390 1271718124 /nfs/dbraw/zinc/71/81/24/1271718124.db2.gz BHYSRBLBVFFLAG-UHFFFAOYSA-N 1 1 373.465 0.594 20 30 FCEDMO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575103301 1271719013 /nfs/dbraw/zinc/71/90/13/1271719013.db2.gz ADQABWJNYDVQHW-ZDUSSCGKSA-N 1 1 368.441 0.824 20 30 FCEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4cn[nH]n4)nc3)CC2)C1 ZINC001575103724 1271719904 /nfs/dbraw/zinc/71/99/04/1271719904.db2.gz HYNSLKXAPJDMSD-INIZCTEOSA-N 1 1 367.457 0.885 20 30 FCEDMO C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)CC2)C1 ZINC001575103724 1271719909 /nfs/dbraw/zinc/71/99/09/1271719909.db2.gz HYNSLKXAPJDMSD-INIZCTEOSA-N 1 1 367.457 0.885 20 30 FCEDMO C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)CC2)C1 ZINC001575103724 1271719912 /nfs/dbraw/zinc/71/99/12/1271719912.db2.gz 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ZINC001103099248 844700334 /nfs/dbraw/zinc/70/03/34/844700334.db2.gz GKSLZHAWULXKQR-TVFCKZIOSA-N 1 1 351.491 0.166 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)COC)C1 ZINC001103265544 844728866 /nfs/dbraw/zinc/72/88/66/844728866.db2.gz HWXYWYCNOVWHME-HZPDHXFCSA-N 1 1 351.491 0.873 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)CC)C1 ZINC001103320291 844738545 /nfs/dbraw/zinc/73/85/45/844738545.db2.gz WDFDQDLYBRBKGV-MCIONIFRSA-N 1 1 356.442 0.821 20 30 FCEDMO CC#CCCCC(=O)NCC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001103341774 844741053 /nfs/dbraw/zinc/74/10/53/844741053.db2.gz WOVPPICYSWPEBF-HZPDHXFCSA-N 1 1 357.520 0.803 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103450186 844760320 /nfs/dbraw/zinc/76/03/20/844760320.db2.gz CQDDLXCVCOMGBU-FPCVCCKLSA-N 1 1 358.504 0.696 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001103499328 844768526 /nfs/dbraw/zinc/76/85/26/844768526.db2.gz CEVCJCPDXFFYRL-BMFZPTHFSA-N 1 1 352.479 0.407 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC(=O)NC2=O)C1 ZINC001103542477 844776805 /nfs/dbraw/zinc/77/68/05/844776805.db2.gz OGPGGTPDUAVBPC-RBSFLKMASA-N 1 1 350.463 0.967 20 30 FCEDMO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCCOC)C1 ZINC001103622093 844788857 /nfs/dbraw/zinc/78/88/57/844788857.db2.gz PEDGNTIJRGVWBD-GVDBMIGSSA-N 1 1 351.491 0.873 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COc2ccsc2)C1 ZINC001103645903 844794939 /nfs/dbraw/zinc/79/49/39/844794939.db2.gz VRNLOMZFVJCJHQ-HUUCEWRRSA-N 1 1 363.483 0.951 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CNC(=O)C(C)(C)C)C1 ZINC001103714994 844806437 /nfs/dbraw/zinc/80/64/37/844806437.db2.gz PUVBPKVQDJEOAX-HZPDHXFCSA-N 1 1 351.491 0.873 20 30 FCEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[C@@H]1CCCOC1 ZINC001103729264 844808825 /nfs/dbraw/zinc/80/88/25/844808825.db2.gz YYIDYXSZOVUWOV-OWCLPIDISA-N 1 1 350.463 0.517 20 30 FCEDMO C=C(C)CN1C[C@@]2(CC[N@@H+](CCCN3CCN(C)CC3)C2)OCC1=O ZINC001276630461 861506821 /nfs/dbraw/zinc/50/68/21/861506821.db2.gz XYOUNSQYNSVLMI-IBGZPJMESA-N 1 1 350.507 0.503 20 30 FCEDMO C=C(C)CN1C[C@@]2(CC[N@H+](CCCN3CCN(C)CC3)C2)OCC1=O ZINC001276630461 861506841 /nfs/dbraw/zinc/50/68/41/861506841.db2.gz XYOUNSQYNSVLMI-IBGZPJMESA-N 1 1 350.507 0.503 20 30 FCEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268291 844984422 /nfs/dbraw/zinc/98/44/22/844984422.db2.gz IFGAVUYPSYVSAW-IUODEOHRSA-N 1 1 368.869 0.223 20 30 FCEDMO C=C(Cl)CNCc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268291 844984428 /nfs/dbraw/zinc/98/44/28/844984428.db2.gz IFGAVUYPSYVSAW-IUODEOHRSA-N 1 1 368.869 0.223 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H](O)CNc2cccc(F)c2C#N)O1 ZINC001106171619 845122195 /nfs/dbraw/zinc/12/21/95/845122195.db2.gz DJFIJELOERLARB-XHBSWPGZSA-N 1 1 350.394 0.305 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H](O)CNc2cccc(F)c2C#N)O1 ZINC001106171619 845122205 /nfs/dbraw/zinc/12/22/05/845122205.db2.gz DJFIJELOERLARB-XHBSWPGZSA-N 1 1 350.394 0.305 20 30 FCEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CNC(=O)OC)CCC[C@@H]12 ZINC001107303093 845346854 /nfs/dbraw/zinc/34/68/54/845346854.db2.gz JFWLYKJXBOOQKL-CXAGYDPISA-N 1 1 352.435 0.005 20 30 FCEDMO CC(=O)NCCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001107337173 845355487 /nfs/dbraw/zinc/35/54/87/845355487.db2.gz WLHQIPOSPMCCNW-QGPMSJSTSA-N 1 1 350.463 0.660 20 30 FCEDMO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCNS(C)(=O)=O)CC2 ZINC001107396740 845366219 /nfs/dbraw/zinc/36/62/19/845366219.db2.gz JQVZSVCWYRMSOI-NVXWUHKLSA-N 1 1 355.504 0.556 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)NC(N)=O)CCC[C@@H]12 ZINC001107405118 845366885 /nfs/dbraw/zinc/36/68/85/845366885.db2.gz FPBBJSXFPDSSBX-HDMKZQKVSA-N 1 1 350.463 0.444 20 30 FCEDMO C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CCS(C)(=O)=O)CCC[C@@H]12 ZINC001107453875 845377147 /nfs/dbraw/zinc/37/71/47/845377147.db2.gz FXZWCYNVKODYEX-NVXWUHKLSA-N 1 1 358.504 0.985 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCOC3)CCC[C@@H]12 ZINC001107517780 845387985 /nfs/dbraw/zinc/38/79/85/845387985.db2.gz AUACFDCWBYFVLY-OLMNPRSZSA-N 1 1 351.422 0.225 20 30 FCEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CCC(N)=O)NC(C)=O)CCC[C@@H]12 ZINC001107579036 845402795 /nfs/dbraw/zinc/40/27/95/845402795.db2.gz OQLVNITVNARHKE-HDMKZQKVSA-N 1 1 350.463 0.303 20 30 FCEDMO C=CCNC(=O)CN1CC[C@@]2(CNC(=O)CC[N@@H+](C)CC)CCC[C@@H]12 ZINC001107598669 845406389 /nfs/dbraw/zinc/40/63/89/845406389.db2.gz QBCGJRQSVVVDKC-VQIMIIECSA-N 1 1 350.507 0.991 20 30 FCEDMO C=CCNC(=O)CN1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598669 845406393 /nfs/dbraw/zinc/40/63/93/845406393.db2.gz QBCGJRQSVVVDKC-VQIMIIECSA-N 1 1 350.507 0.991 20 30 FCEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@]3(C)CCS(=O)(=O)N3)CCC[C@@H]12 ZINC001107621529 845408820 /nfs/dbraw/zinc/40/88/20/845408820.db2.gz QFIGYLOPPIRYRE-BPQIPLTHSA-N 1 1 367.515 0.842 20 30 FCEDMO COCC[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107638572 845413191 /nfs/dbraw/zinc/41/31/91/845413191.db2.gz HAIABDNOHJNXBZ-HDMKZQKVSA-N 1 1 350.463 0.660 20 30 FCEDMO COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107638576 845413973 /nfs/dbraw/zinc/41/39/73/845413973.db2.gz HHPQGUOAICXLAQ-JFIYKMOQSA-N 1 1 368.499 0.574 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCS3(=O)=O)CCC[C@@H]12 ZINC001107638576 845413981 /nfs/dbraw/zinc/41/39/81/845413981.db2.gz HHPQGUOAICXLAQ-JFIYKMOQSA-N 1 1 368.499 0.574 20 30 FCEDMO C#CCN1C[C@@H](c2ccccc2)[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1=O ZINC001276736057 861566471 /nfs/dbraw/zinc/56/64/71/861566471.db2.gz QXKZPAVCMFUBJK-HKUYNNGSSA-N 1 1 360.479 0.982 20 30 FCEDMO C=CCCCN1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001108490447 845499042 /nfs/dbraw/zinc/49/90/42/845499042.db2.gz GVFWHOLLAZUIOX-JKSUJKDBSA-N 1 1 366.487 0.468 20 30 FCEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001108956532 845527767 /nfs/dbraw/zinc/52/77/67/845527767.db2.gz XRZJPEUNPVBYSP-AGIUHOORSA-N 1 1 350.444 0.114 20 30 FCEDMO N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001108956532 845527772 /nfs/dbraw/zinc/52/77/72/845527772.db2.gz XRZJPEUNPVBYSP-AGIUHOORSA-N 1 1 350.444 0.114 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCC)C2 ZINC001109065997 845558924 /nfs/dbraw/zinc/55/89/24/845558924.db2.gz UESIDZKNCFVZIN-KBXIAJHMSA-N 1 1 350.463 0.315 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCC)C2 ZINC001109065997 845558932 /nfs/dbraw/zinc/55/89/32/845558932.db2.gz UESIDZKNCFVZIN-KBXIAJHMSA-N 1 1 350.463 0.315 20 30 FCEDMO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001109070841 845561101 /nfs/dbraw/zinc/56/11/01/845561101.db2.gz LIKNETUZVJXOPU-PMPSAXMXSA-N 1 1 356.488 0.735 20 30 FCEDMO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001109070841 845561106 /nfs/dbraw/zinc/56/11/06/845561106.db2.gz LIKNETUZVJXOPU-PMPSAXMXSA-N 1 1 356.488 0.735 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCCOC)C3)C1=O ZINC001109091175 845565316 /nfs/dbraw/zinc/56/53/16/845565316.db2.gz MOSYUIBHKDAKCK-UGUYLWEFSA-N 1 1 351.447 0.158 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCCOC)C3)C1=O ZINC001109091175 845565324 /nfs/dbraw/zinc/56/53/24/845565324.db2.gz MOSYUIBHKDAKCK-UGUYLWEFSA-N 1 1 351.447 0.158 20 30 FCEDMO CN(CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)S(C)(=O)=O ZINC001109117814 845573285 /nfs/dbraw/zinc/57/32/85/845573285.db2.gz OHIVFCYEIXPJTF-IPYPFGDCSA-N 1 1 365.459 0.113 20 30 FCEDMO CN(CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2)S(C)(=O)=O ZINC001109117814 845573293 /nfs/dbraw/zinc/57/32/93/845573293.db2.gz OHIVFCYEIXPJTF-IPYPFGDCSA-N 1 1 365.459 0.113 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC(F)(F)F ZINC001109175330 845585890 /nfs/dbraw/zinc/58/58/90/845585890.db2.gz GJNCKTKFJHMUGV-AGIUHOORSA-N 1 1 361.364 0.426 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC(F)(F)F ZINC001109175330 845585897 /nfs/dbraw/zinc/58/58/97/845585897.db2.gz GJNCKTKFJHMUGV-AGIUHOORSA-N 1 1 361.364 0.426 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)NC(C)C ZINC001109267316 845608034 /nfs/dbraw/zinc/60/80/34/845608034.db2.gz NJAKPDWSWQGWCL-FZKCQIBNSA-N 1 1 350.463 0.454 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)NC(C)C ZINC001109267316 845608039 /nfs/dbraw/zinc/60/80/39/845608039.db2.gz NJAKPDWSWQGWCL-FZKCQIBNSA-N 1 1 350.463 0.454 20 30 FCEDMO O=C(C#CC1CC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCCS1(=O)=O ZINC001109257872 845608611 /nfs/dbraw/zinc/60/86/11/845608611.db2.gz QJOKOCNBJSVEQM-PMPSAXMXSA-N 1 1 351.472 0.157 20 30 FCEDMO 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CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oncc2C)[nH]1 ZINC001130244307 1201563729 /nfs/dbraw/zinc/56/37/29/1201563729.db2.gz GDHMXORYZBQNMD-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2oncc2C)n1 ZINC001130244555 1201564051 /nfs/dbraw/zinc/56/40/51/1201564051.db2.gz JWEWKTKUMBLYJA-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2oncc2C)n[nH]1 ZINC001130244555 1201564056 /nfs/dbraw/zinc/56/40/56/1201564056.db2.gz JWEWKTKUMBLYJA-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnoc2C2CC2)[nH]1 ZINC001130246378 1201565951 /nfs/dbraw/zinc/56/59/51/1201565951.db2.gz IQTYLXQUIPPYGR-JSGCOSHPSA-N 1 1 370.413 0.695 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)COC)[nH]1 ZINC001130246385 1201565992 /nfs/dbraw/zinc/56/59/92/1201565992.db2.gz IZICLFKIPHQEOO-ILXRZTDVSA-N 1 1 363.462 0.579 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC=C)n[nH]2)nc1 ZINC001130247223 1201567642 /nfs/dbraw/zinc/56/76/42/1201567642.db2.gz ZBVJYPFZHVIEBG-HOCLYGCPSA-N 1 1 366.425 0.759 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CC=C)n2)nc1 ZINC001130247223 1201567648 /nfs/dbraw/zinc/56/76/48/1201567648.db2.gz ZBVJYPFZHVIEBG-HOCLYGCPSA-N 1 1 366.425 0.759 20 30 FCEDMO C=CC[C@@H](NC(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccncc1 ZINC000805567605 1201571996 /nfs/dbraw/zinc/57/19/96/1201571996.db2.gz LCTKGFWSQFCAED-OAHLLOKOSA-N 1 1 356.430 0.931 20 30 FCEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH]nn2)CC1 ZINC001130302357 1201580615 /nfs/dbraw/zinc/58/06/15/1201580615.db2.gz WIONRTLYCVSXDE-QAPCUYQASA-N 1 1 360.462 0.399 20 30 FCEDMO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cnn[nH]2)CC1 ZINC001130302357 1201580619 /nfs/dbraw/zinc/58/06/19/1201580619.db2.gz WIONRTLYCVSXDE-QAPCUYQASA-N 1 1 360.462 0.399 20 30 FCEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)CCc3cncnc3)[C@@H](O)C2)c1 ZINC001220014563 1224727831 /nfs/dbraw/zinc/72/78/31/1224727831.db2.gz PGXUSNWWRKLENU-MSOLQXFVSA-N 1 1 351.410 0.642 20 30 FCEDMO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)CCc3cncnc3)[C@@H](O)C2)c1 ZINC001220014563 1224727832 /nfs/dbraw/zinc/72/78/32/1224727832.db2.gz PGXUSNWWRKLENU-MSOLQXFVSA-N 1 1 351.410 0.642 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001130583560 1202722758 /nfs/dbraw/zinc/72/27/58/1202722758.db2.gz GFXLTEWRCMDRTD-HLLBOEOZSA-N 1 1 369.473 0.853 20 30 FCEDMO C=C(C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnnn2C)C1 ZINC001130603069 1202732408 /nfs/dbraw/zinc/73/24/08/1202732408.db2.gz XCDVIWGPTOEVRJ-DZGCQCFKSA-N 1 1 358.450 0.384 20 30 FCEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001220070492 1224744647 /nfs/dbraw/zinc/74/46/47/1224744647.db2.gz RWPXGQBGHINUMX-XKQJLSEDSA-N 1 1 356.430 0.792 20 30 FCEDMO C=CCCO[C@H](C)C(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCO)O2)n1 ZINC001130762167 1202778322 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/nfs/dbraw/zinc/32/47/69/1259324769.db2.gz GYVZEZMXMJBVEH-IKGGRYGDSA-N 1 1 363.462 0.637 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](OC)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129139266 1259324778 /nfs/dbraw/zinc/32/47/78/1259324778.db2.gz GYVZEZMXMJBVEH-IKGGRYGDSA-N 1 1 363.462 0.637 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCc2nc(C(C)C)no2)[C@@H](n2ccnn2)C1 ZINC001129144671 1259329211 /nfs/dbraw/zinc/32/92/11/1259329211.db2.gz QHAOMAGLMYYZPJ-KGLIPLIRSA-N 1 1 359.434 0.945 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2nc(C(C)C)no2)[C@@H](n2ccnn2)C1 ZINC001129144671 1259329215 /nfs/dbraw/zinc/32/92/15/1259329215.db2.gz QHAOMAGLMYYZPJ-KGLIPLIRSA-N 1 1 359.434 0.945 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001129154474 1259332507 /nfs/dbraw/zinc/33/25/07/1259332507.db2.gz RILMFAPEEVYAKS-CVEARBPZSA-N 1 1 356.430 0.448 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001129154474 1259332513 /nfs/dbraw/zinc/33/25/13/1259332513.db2.gz RILMFAPEEVYAKS-CVEARBPZSA-N 1 1 356.430 0.448 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129188819 1259338977 /nfs/dbraw/zinc/33/89/77/1259338977.db2.gz CBWKNGGTOVXXRM-OAGGEKHMSA-N 1 1 358.450 0.514 20 30 FCEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1n1ccnn1 ZINC001129188819 1259338982 /nfs/dbraw/zinc/33/89/82/1259338982.db2.gz CBWKNGGTOVXXRM-OAGGEKHMSA-N 1 1 358.450 0.514 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](n2ccnn2)C1 ZINC001129199581 1259343106 /nfs/dbraw/zinc/34/31/06/1259343106.db2.gz KBJMBKKOARCJAM-YUELXQCFSA-N 1 1 357.418 0.371 20 30 FCEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129204505 1259345112 /nfs/dbraw/zinc/34/51/12/1259345112.db2.gz GSHHPPMSXZCVGJ-CVEARBPZSA-N 1 1 359.434 0.398 20 30 FCEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2n2ccnn2)CCC1 ZINC001129243316 1259352167 /nfs/dbraw/zinc/35/21/67/1259352167.db2.gz NSVBBPAPLDMLGU-CVEARBPZSA-N 1 1 370.461 0.658 20 30 FCEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2n2ccnn2)CCC1 ZINC001129243316 1259352173 /nfs/dbraw/zinc/35/21/73/1259352173.db2.gz NSVBBPAPLDMLGU-CVEARBPZSA-N 1 1 370.461 0.658 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCCOCC)C[C@@H]2n2ccnn2)c1 ZINC001129243099 1259352314 /nfs/dbraw/zinc/35/23/14/1259352314.db2.gz IGQXFNGAWBLGDK-MSOLQXFVSA-N 1 1 368.441 0.736 20 30 FCEDMO C=CCOCCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262981 1259359604 /nfs/dbraw/zinc/35/96/04/1259359604.db2.gz XNLIZHINYUEZPH-ZACQAIPSSA-N 1 1 362.478 0.307 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001129281672 1259365122 /nfs/dbraw/zinc/36/51/22/1259365122.db2.gz ZXPSSGMCOXOERU-CVEARBPZSA-N 1 1 358.450 0.347 20 30 FCEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2cnc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001129307583 1259370267 /nfs/dbraw/zinc/37/02/67/1259370267.db2.gz HDWXAGJHRUWRCO-ZBFHGGJFSA-N 1 1 366.429 0.942 20 30 FCEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCCC)C[C@@H]2n2ccnn2)nn1 ZINC001129307802 1259371064 /nfs/dbraw/zinc/37/10/64/1259371064.db2.gz OXHNUJYZZBQTTD-ZBFHGGJFSA-N 1 1 358.450 0.901 20 30 FCEDMO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCOCCNC(C)=O)C[C@H]32)c1 ZINC001189077573 1259403924 /nfs/dbraw/zinc/40/39/24/1259403924.db2.gz SVINEQDZAVOZKM-PKOBYXMFSA-N 1 1 370.453 0.362 20 30 FCEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1O ZINC001193296101 1259407327 /nfs/dbraw/zinc/40/73/27/1259407327.db2.gz DEHHMAJVGXZFKN-USXIJHARSA-N 1 1 366.458 0.921 20 30 FCEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH]cn3)C2)cc1 ZINC001193619762 1259408120 /nfs/dbraw/zinc/40/81/20/1259408120.db2.gz PAZGEYARXKBYGD-QZTJIDSGSA-N 1 1 369.425 0.606 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCc3c[nH]cn3)C2)cc1 ZINC001193619762 1259408125 /nfs/dbraw/zinc/40/81/25/1259408125.db2.gz PAZGEYARXKBYGD-QZTJIDSGSA-N 1 1 369.425 0.606 20 30 FCEDMO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1C ZINC001206659103 1259423078 /nfs/dbraw/zinc/42/30/78/1259423078.db2.gz CWBGQHWAZRSFIY-MGPQQGTHSA-N 1 1 361.446 0.447 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1OC ZINC001212262240 1259446570 /nfs/dbraw/zinc/44/65/70/1259446570.db2.gz IIJQIFAZGBDYJV-SJLPKXTDSA-N 1 1 371.441 0.324 20 30 FCEDMO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1OC ZINC001212262240 1259446573 /nfs/dbraw/zinc/44/65/73/1259446573.db2.gz IIJQIFAZGBDYJV-SJLPKXTDSA-N 1 1 371.441 0.324 20 30 FCEDMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H](C)NC(N)=O ZINC001212272545 1259449626 /nfs/dbraw/zinc/44/96/26/1259449626.db2.gz UWUPGGRKIDKMKU-APHBMKBZSA-N 1 1 359.430 0.321 20 30 FCEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H](C)NC(N)=O ZINC001212272545 1259449629 /nfs/dbraw/zinc/44/96/29/1259449629.db2.gz UWUPGGRKIDKMKU-APHBMKBZSA-N 1 1 359.430 0.321 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]nc3c2CCCC3)[C@H](OC)C1 ZINC001212282398 1259452461 /nfs/dbraw/zinc/45/24/61/1259452461.db2.gz RMPNHLLGLOZNIT-QZTJIDSGSA-N 1 1 362.474 0.849 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@H](OC)C1 ZINC001212282398 1259452463 /nfs/dbraw/zinc/45/24/63/1259452463.db2.gz RMPNHLLGLOZNIT-QZTJIDSGSA-N 1 1 362.474 0.849 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)[C@H](OC)C1 ZINC001212282398 1259452464 /nfs/dbraw/zinc/45/24/64/1259452464.db2.gz RMPNHLLGLOZNIT-QZTJIDSGSA-N 1 1 362.474 0.849 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212298121 1259457060 /nfs/dbraw/zinc/45/70/60/1259457060.db2.gz VPCIWEUQEMFOEV-WCXIOVBPSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1OC ZINC001212298121 1259457063 /nfs/dbraw/zinc/45/70/63/1259457063.db2.gz VPCIWEUQEMFOEV-WCXIOVBPSA-N 1 1 365.474 0.309 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CNC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001212311479 1259460798 /nfs/dbraw/zinc/46/07/98/1259460798.db2.gz OPSASZXOCGEUBU-HZPDHXFCSA-N 1 1 365.430 0.336 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2OC)CCC1 ZINC001212393143 1259486294 /nfs/dbraw/zinc/48/62/94/1259486294.db2.gz FJTFKEKRAUXWRJ-IAGOWNOFSA-N 1 1 359.474 0.904 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]2OC)CCC1 ZINC001212393143 1259486299 /nfs/dbraw/zinc/48/62/99/1259486299.db2.gz FJTFKEKRAUXWRJ-IAGOWNOFSA-N 1 1 359.474 0.904 20 30 FCEDMO C=CCN1CC[C@@H](N2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C2)C1=O ZINC001212486796 1259522431 /nfs/dbraw/zinc/52/24/31/1259522431.db2.gz DRZRUAUPZOXZEF-BZUAXINKSA-N 1 1 366.506 0.319 20 30 FCEDMO CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@@H+](Cc1cccc(C#N)n1)CC2 ZINC001232925292 1259543978 /nfs/dbraw/zinc/54/39/78/1259543978.db2.gz SHCBFVFATFFISG-UHFFFAOYSA-N 1 1 365.437 0.804 20 30 FCEDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)C2 ZINC001233101368 1259547477 /nfs/dbraw/zinc/54/74/77/1259547477.db2.gz VYRDDBVPYWVHOQ-LJQANCHMSA-N 1 1 373.432 0.686 20 30 FCEDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)C2 ZINC001233101368 1259547485 /nfs/dbraw/zinc/54/74/85/1259547485.db2.gz VYRDDBVPYWVHOQ-LJQANCHMSA-N 1 1 373.432 0.686 20 30 FCEDMO CCN(CCC#N)C(=O)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234393431 1259559627 /nfs/dbraw/zinc/55/96/27/1259559627.db2.gz ZXVACRJSXCNSLS-BRWVUGGUSA-N 1 1 363.506 0.621 20 30 FCEDMO N#Cc1ccc(N2C[C@@]3(COCC[N@H+](CCCCO)C3)OCC2=O)cc1 ZINC001235492459 1259574001 /nfs/dbraw/zinc/57/40/01/1259574001.db2.gz WKGHOWIWKZZGLU-IBGZPJMESA-N 1 1 359.426 0.765 20 30 FCEDMO COc1ccc(CNC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC001331719787 1266273042 /nfs/dbraw/zinc/27/30/42/1266273042.db2.gz CEFIOICKGUZPCP-INIZCTEOSA-N 1 1 356.426 0.880 20 30 FCEDMO N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)CC2=O)cc1 ZINC001331729183 1266274747 /nfs/dbraw/zinc/27/47/47/1266274747.db2.gz CBOLNGDUBFJDOI-NXHRZFHOSA-N 1 1 368.437 0.579 20 30 FCEDMO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249113799 1259720830 /nfs/dbraw/zinc/72/08/30/1259720830.db2.gz OIIMDLNWWPRHTE-OKILXGFUSA-N 1 1 356.382 0.990 20 30 FCEDMO COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249113799 1259720834 /nfs/dbraw/zinc/72/08/34/1259720834.db2.gz OIIMDLNWWPRHTE-OKILXGFUSA-N 1 1 356.382 0.990 20 30 FCEDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001249428477 1259721973 /nfs/dbraw/zinc/72/19/73/1259721973.db2.gz PYZLTIRBPSWQBD-LJQANCHMSA-N 1 1 351.410 0.962 20 30 FCEDMO C#CCOC[C@@H](O)C[N@@H+]1Cc2ncn(C)c2[C@H](COCc2cccnc2)C1 ZINC001251840162 1259764657 /nfs/dbraw/zinc/76/46/57/1259764657.db2.gz NASACRBSERLMJU-ROUUACIJSA-N 1 1 370.453 0.942 20 30 FCEDMO C#CCOC[C@@H](O)C[N@H+]1Cc2ncn(C)c2[C@H](COCc2cccnc2)C1 ZINC001251840162 1259764662 /nfs/dbraw/zinc/76/46/62/1259764662.db2.gz 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/nfs/dbraw/zinc/74/32/64/1264743264.db2.gz PZKQUJGGCWUGLN-RYRKJORJSA-N 1 1 370.453 0.859 20 30 FCEDMO C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001324956240 1264743267 /nfs/dbraw/zinc/74/32/67/1264743267.db2.gz PZKQUJGGCWUGLN-RYRKJORJSA-N 1 1 370.453 0.859 20 30 FCEDMO CCN(C(=O)C(=O)N1CCO[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001325101489 1264776057 /nfs/dbraw/zinc/77/60/57/1264776057.db2.gz DTZZCDAOWMFTDI-ZWKOTPCHSA-N 1 1 370.453 0.860 20 30 FCEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]([N@H+]4CC[C@@H](O)C4)C3)CC2)o1 ZINC001325270549 1264829627 /nfs/dbraw/zinc/82/96/27/1264829627.db2.gz JHQOHDGALYVRRJ-JKSUJKDBSA-N 1 1 373.457 0.739 20 30 FCEDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)C2)C1 ZINC001325913769 1265022844 /nfs/dbraw/zinc/02/28/44/1265022844.db2.gz DIIMHZOUOPBUHT-HXUWFJFHSA-N 1 1 368.437 0.702 20 30 FCEDMO C[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC001326403530 1265107183 /nfs/dbraw/zinc/10/71/83/1265107183.db2.gz VDBVBGMOMYVTHW-FOIQADDNSA-N 1 1 370.453 0.426 20 30 FCEDMO C[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)[N@H+]1CCc2ccccc2C1 ZINC001326403530 1265107187 /nfs/dbraw/zinc/10/71/87/1265107187.db2.gz VDBVBGMOMYVTHW-FOIQADDNSA-N 1 1 370.453 0.426 20 30 FCEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC001327547915 1265355508 /nfs/dbraw/zinc/35/55/08/1265355508.db2.gz CGHLDVLVNLOFEH-UHFFFAOYSA-N 1 1 368.397 0.307 20 30 FCEDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC001327694316 1265396666 /nfs/dbraw/zinc/39/66/66/1265396666.db2.gz CBIUTSJUTMFFEI-HNNXBMFYSA-N 1 1 357.458 0.174 20 30 FCEDMO N#CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC001327699495 1265399769 /nfs/dbraw/zinc/39/97/69/1265399769.db2.gz XHEDPRLQXJPFRC-IRXDYDNUSA-N 1 1 356.426 0.948 20 30 FCEDMO CCC[N@H+]1CC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001334781549 1267173642 /nfs/dbraw/zinc/17/36/42/1267173642.db2.gz BSUVAIPKGXXUKN-CYBMUJFWSA-N 1 1 364.471 0.716 20 30 FCEDMO Cn1c(-c2nc3c(s2)C[N@H+](C)CC3)nnc1N1CCN(CCC#N)CC1 ZINC001338313955 1267907195 /nfs/dbraw/zinc/90/71/95/1267907195.db2.gz VDTSWZLZYWYUBS-UHFFFAOYSA-N 1 1 372.502 0.962 20 30 FCEDMO Cn1c(-c2nc3c(s2)C[N@@H+](C)CC3)nnc1N1CCN(CCC#N)CC1 ZINC001338313955 1267907205 /nfs/dbraw/zinc/90/72/05/1267907205.db2.gz VDTSWZLZYWYUBS-UHFFFAOYSA-N 1 1 372.502 0.962 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001338851316 1268106911 /nfs/dbraw/zinc/10/69/11/1268106911.db2.gz LKRJCCJMMSFQDK-KKUMJFAQSA-N 1 1 360.462 0.367 20 30 FCEDMO COCCN(CCNC(=O)c1cc(C#N)c[nH]1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001338970670 1268134026 /nfs/dbraw/zinc/13/40/26/1268134026.db2.gz ZOIJYVMABNXDLZ-UKRRQHHQSA-N 1 1 361.446 0.431 20 30 FCEDMO C=CCn1c(-c2cn(CCO)nn2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001339138331 1268175086 /nfs/dbraw/zinc/17/50/86/1268175086.db2.gz VTRLVDFXHMOIML-KBPBESRZSA-N 1 1 360.466 0.634 20 30 FCEDMO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001339483579 1268248196 /nfs/dbraw/zinc/24/81/96/1268248196.db2.gz ABUXDPQWNKWFTQ-AWEZNQCLSA-N 1 1 368.507 0.355 20 30 FCEDMO C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001339620094 1268285057 /nfs/dbraw/zinc/28/50/57/1268285057.db2.gz AOZYFGWLPZAZSZ-HUUCEWRRSA-N 1 1 360.462 0.321 20 30 FCEDMO C=CCn1c(-c2cn[nH]n2)nnc1N1CC[NH+](CCOCCOC)CC1 ZINC001339639691 1268290708 /nfs/dbraw/zinc/29/07/08/1268290708.db2.gz RQQMJEOEMRRTLA-UHFFFAOYSA-N 1 1 362.438 0.034 20 30 FCEDMO COCC(COC)[NH+]1CCN(c2nnc(-c3ccnc(C#N)c3)n2C)CC1 ZINC001339821516 1268339792 /nfs/dbraw/zinc/33/97/92/1268339792.db2.gz FGRSIJJCDNWAOA-UHFFFAOYSA-N 1 1 371.445 0.532 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCO[C@@H](COCC)C1 ZINC001340397011 1268534402 /nfs/dbraw/zinc/53/44/02/1268534402.db2.gz BNVWXLCJNDVLNT-CHWSQXEVSA-N 1 1 351.407 0.191 20 30 FCEDMO C=CCn1c([C@@H]2CC=NO2)nnc1N1CC[NH+](CCOCCOC)CC1 ZINC001340538859 1268580447 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RDDUYGKVKBZQHP-SJORKVTESA-N 1 1 374.489 0.972 20 30 FCEDMO C=C(C)Cn1c(C[C@H](O)CC#N)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001342011400 1269303205 /nfs/dbraw/zinc/30/32/05/1269303205.db2.gz RLEAJCIABONKCE-JKSUJKDBSA-N 1 1 360.462 0.582 20 30 FCEDMO C=CCn1c(-c2c[nH]n3ccnc23)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001342061996 1269326613 /nfs/dbraw/zinc/32/66/13/1269326613.db2.gz OTPCJZSSYSDVJD-ZDUSSCGKSA-N 1 1 354.418 0.628 20 30 FCEDMO C=CCn1c(-c2c[nH]n3ccnc23)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001342061996 1269326623 /nfs/dbraw/zinc/32/66/23/1269326623.db2.gz OTPCJZSSYSDVJD-ZDUSSCGKSA-N 1 1 354.418 0.628 20 30 FCEDMO C=C(C)Cn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001342134748 1269364912 /nfs/dbraw/zinc/36/49/12/1269364912.db2.gz MHYYZWOLNOSDFQ-UHFFFAOYSA-N 1 1 359.434 0.814 20 30 FCEDMO C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001342210881 1269401118 /nfs/dbraw/zinc/40/11/18/1269401118.db2.gz GRJOUWIGQHQYSU-JTQLQIEISA-N 1 1 365.825 0.973 20 30 FCEDMO C=CCn1c(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)nnc1[C@]1(O)CCOC1 ZINC001342443404 1269472801 /nfs/dbraw/zinc/47/28/01/1269472801.db2.gz YCCGPITVSRKQGJ-DAYGRLMNSA-N 1 1 365.478 0.617 20 30 FCEDMO C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001342662894 1269555433 /nfs/dbraw/zinc/55/54/33/1269555433.db2.gz SOOXAXWIYNETAM-HNNXBMFYSA-N 1 1 362.478 0.132 20 30 FCEDMO C=C(C)Cn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001343006216 1269725709 /nfs/dbraw/zinc/72/57/09/1269725709.db2.gz ANFPWFROAQQLMM-KSSFIOAISA-N 1 1 360.462 0.153 20 30 FCEDMO C=C(C)Cn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nnc1[C@]1(C)CNC(=O)C1 ZINC001343006216 1269725712 /nfs/dbraw/zinc/72/57/12/1269725712.db2.gz ANFPWFROAQQLMM-KSSFIOAISA-N 1 1 360.462 0.153 20 30 FCEDMO CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001344767232 1270237502 /nfs/dbraw/zinc/23/75/02/1270237502.db2.gz VSRQSOKIYWVZKP-ROUUACIJSA-N 1 1 370.453 0.860 20 30 FCEDMO CC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001344767232 1270237507 /nfs/dbraw/zinc/23/75/07/1270237507.db2.gz VSRQSOKIYWVZKP-ROUUACIJSA-N 1 1 370.453 0.860 20 30 FCEDMO CC(C)C#CC(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573946612 1270952722 /nfs/dbraw/zinc/95/27/22/1270952722.db2.gz GXADRLXUVQPVNF-CQSZACIVSA-N 1 1 360.393 0.232 20 30 FCEDMO C#CCCCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001574849059 1271598337 /nfs/dbraw/zinc/59/83/37/1271598337.db2.gz FNOHKENZAQQPGF-HUUCEWRRSA-N 1 1 360.462 0.441 20 30 FCEDMO C#CCCCCC(=O)N1CCCCC[C@H]([NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001574866689 1271617438 /nfs/dbraw/zinc/61/74/38/1271617438.db2.gz IOPUAJMGLRUCAX-INIZCTEOSA-N 1 1 374.489 0.975 20 30 FCEDMO C#CCCCC(=O)NC1(C[NH2+]CC(=O)NCc2c[nH]nn2)CCCCC1 ZINC001574867797 1271618716 /nfs/dbraw/zinc/61/87/16/1271618716.db2.gz YXIUMEWEXCCQEG-UHFFFAOYSA-N 1 1 360.462 0.633 20 30 FCEDMO C#CCC[NH2+]C1(CNC(=O)c2cncc(-c3cn[nH]n3)c2)CCOCC1 ZINC001574895362 1271657037 /nfs/dbraw/zinc/65/70/37/1271657037.db2.gz SEBIRZIIDMENGO-UHFFFAOYSA-N 1 1 354.414 0.759 20 30 FCEDMO C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001574928471 1271680528 /nfs/dbraw/zinc/68/05/28/1271680528.db2.gz NXRHTSWTTACKHC-LFDJNIOPSA-N 1 1 369.469 0.697 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCCN(Cc3c[nH]nn3)C2)CC1 ZINC001574967867 1271686673 /nfs/dbraw/zinc/68/66/73/1271686673.db2.gz YSGGWJJKOFUDQU-NVXWUHKLSA-N 1 1 358.490 0.867 20 30 FCEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCCc2c[nH]nn2)C[C@H]1C ZINC001575005235 1271690977 /nfs/dbraw/zinc/69/09/77/1271690977.db2.gz XVHNUBPSCQYGAU-HUUCEWRRSA-N 1 1 360.462 0.236 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCCc2c[nH]nn2)C[C@H]1C ZINC001575005235 1271690986 /nfs/dbraw/zinc/69/09/86/1271690986.db2.gz XVHNUBPSCQYGAU-HUUCEWRRSA-N 1 1 360.462 0.236 20 30 FCEDMO C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001575005277 1271692589 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/nfs/dbraw/zinc/62/00/80/853620080.db2.gz GSUAKCVPDZJMEF-JKSUJKDBSA-N 1 1 370.515 0.937 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001206065859 853653532 /nfs/dbraw/zinc/65/35/32/853653532.db2.gz MYLISRDABOSHHX-OAGGEKHMSA-N 1 1 353.463 0.263 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001206065859 853653539 /nfs/dbraw/zinc/65/35/39/853653539.db2.gz MYLISRDABOSHHX-OAGGEKHMSA-N 1 1 353.463 0.263 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCCC)C1 ZINC001206321728 853678765 /nfs/dbraw/zinc/67/87/65/853678765.db2.gz YFWDKUYZAJOISK-MGPQQGTHSA-N 1 1 370.519 0.966 20 30 FCEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCCC)C1 ZINC001206321728 853678767 /nfs/dbraw/zinc/67/87/67/853678767.db2.gz YFWDKUYZAJOISK-MGPQQGTHSA-N 1 1 370.519 0.966 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001206585898 853701864 /nfs/dbraw/zinc/70/18/64/853701864.db2.gz GXNVWDOHFYABPY-OWCLPIDISA-N 1 1 355.479 0.557 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCOCC)C[C@H]1C ZINC001206585898 853701869 /nfs/dbraw/zinc/70/18/69/853701869.db2.gz GXNVWDOHFYABPY-OWCLPIDISA-N 1 1 355.479 0.557 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001206586357 853702243 /nfs/dbraw/zinc/70/22/43/853702243.db2.gz XIZBVNUGUMWDJI-HZPDHXFCSA-N 1 1 355.479 0.557 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC(C)C)C[C@H]1C ZINC001206586357 853702248 /nfs/dbraw/zinc/70/22/48/853702248.db2.gz XIZBVNUGUMWDJI-HZPDHXFCSA-N 1 1 355.479 0.557 20 30 FCEDMO C=CCOCC(=O)N[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1C ZINC001206614668 853704647 /nfs/dbraw/zinc/70/46/47/853704647.db2.gz ZYPDAXWWLDFXJK-ZIAGYGMSSA-N 1 1 350.467 0.610 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CC)C1 ZINC001206641617 853707004 /nfs/dbraw/zinc/70/70/04/853707004.db2.gz WRYQCIHUTLJEKV-HUUCEWRRSA-N 1 1 350.463 0.150 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)CC)C1 ZINC001206641617 853707007 /nfs/dbraw/zinc/70/70/07/853707007.db2.gz WRYQCIHUTLJEKV-HUUCEWRRSA-N 1 1 350.463 0.150 20 30 FCEDMO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001206778715 853721213 /nfs/dbraw/zinc/72/12/13/853721213.db2.gz GZCAYNXQKUXHOI-OWCLPIDISA-N 1 1 358.504 0.840 20 30 FCEDMO C=CCOCCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001206778715 853721217 /nfs/dbraw/zinc/72/12/17/853721217.db2.gz GZCAYNXQKUXHOI-OWCLPIDISA-N 1 1 358.504 0.840 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2Cl)C[C@H]1C ZINC001206887368 853735865 /nfs/dbraw/zinc/73/58/65/853735865.db2.gz IQILRRGRPJGDIQ-BXUZGUMPSA-N 1 1 365.865 0.458 20 30 FCEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2c(C)nn(C)c2Cl)C[C@H]1C ZINC001206887368 853735873 /nfs/dbraw/zinc/73/58/73/853735873.db2.gz IQILRRGRPJGDIQ-BXUZGUMPSA-N 1 1 365.865 0.458 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001206914392 853748538 /nfs/dbraw/zinc/74/85/38/853748538.db2.gz DCLGLXXJRDDMLH-SIIHOXLZSA-N 1 1 353.463 0.045 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1C ZINC001206914392 853748546 /nfs/dbraw/zinc/74/85/46/853748546.db2.gz DCLGLXXJRDDMLH-SIIHOXLZSA-N 1 1 353.463 0.045 20 30 FCEDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206951062 853763003 /nfs/dbraw/zinc/76/30/03/853763003.db2.gz VMPUXLWZGZLUHA-HZSPNIEDSA-N 1 1 350.463 0.707 20 30 FCEDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206951062 853763006 /nfs/dbraw/zinc/76/30/06/853763006.db2.gz VMPUXLWZGZLUHA-HZSPNIEDSA-N 1 1 350.463 0.707 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)NC(=O)CC(F)(F)F)C1 ZINC001207084885 853787846 /nfs/dbraw/zinc/78/78/46/853787846.db2.gz HRQFKWMEIDEXNO-JHJVBQTASA-N 1 1 363.380 0.530 20 30 FCEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207297316 853799507 /nfs/dbraw/zinc/79/95/07/853799507.db2.gz CTYFGAGMOSMGTQ-CZUORRHYSA-N 1 1 364.471 0.434 20 30 FCEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207297316 853799512 /nfs/dbraw/zinc/79/95/12/853799512.db2.gz CTYFGAGMOSMGTQ-CZUORRHYSA-N 1 1 364.471 0.434 20 30 FCEDMO C#CCC1(C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]2C)CCC1 ZINC001207522075 853820058 /nfs/dbraw/zinc/82/00/58/853820058.db2.gz UWHOMEVLESDNEM-HZPDHXFCSA-N 1 1 369.531 0.898 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001207664515 853837371 /nfs/dbraw/zinc/83/73/71/853837371.db2.gz HTYZYBSTOHXAEP-IJLUTSLNSA-N 1 1 358.389 0.480 20 30 FCEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001207664515 853837375 /nfs/dbraw/zinc/83/73/75/853837375.db2.gz HTYZYBSTOHXAEP-IJLUTSLNSA-N 1 1 358.389 0.480 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001208042203 853886397 /nfs/dbraw/zinc/88/63/97/853886397.db2.gz VHDBECOYVDUYNT-OSAQELSMSA-N 1 1 362.499 0.877 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001208042203 853886403 /nfs/dbraw/zinc/88/64/03/853886403.db2.gz VHDBECOYVDUYNT-OSAQELSMSA-N 1 1 362.499 0.877 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001208106440 853896602 /nfs/dbraw/zinc/89/66/02/853896602.db2.gz WFOQKKSGBACJLF-RBSFLKMASA-N 1 1 361.433 0.591 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC001208247421 853906290 /nfs/dbraw/zinc/90/62/90/853906290.db2.gz GOGUNAKTKZRYNC-QLFBSQMISA-N 1 1 363.483 0.953 20 30 FCEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]1C ZINC001208374576 853923745 /nfs/dbraw/zinc/92/37/45/853923745.db2.gz NOMQCRHEVIFPDO-HZPDHXFCSA-N 1 1 357.520 0.898 20 30 FCEDMO C=CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396049 853925844 /nfs/dbraw/zinc/92/58/44/853925844.db2.gz MKXBJHNXOUTOOY-BRWVUGGUSA-N 1 1 350.507 0.847 20 30 FCEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)CN2C(=O)CCC2=O)C[C@H]1C ZINC001208458489 853937766 /nfs/dbraw/zinc/93/77/66/853937766.db2.gz LISLDZHSTALKLE-RBSFLKMASA-N 1 1 351.447 0.289 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001208596858 853958535 /nfs/dbraw/zinc/95/85/35/853958535.db2.gz AWQOFAHPVRUBPM-XJKCOSOUSA-N 1 1 362.861 0.852 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccncc2Cl)C1 ZINC001208596858 853958540 /nfs/dbraw/zinc/95/85/40/853958540.db2.gz AWQOFAHPVRUBPM-XJKCOSOUSA-N 1 1 362.861 0.852 20 30 FCEDMO C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208605271 853959457 /nfs/dbraw/zinc/95/94/57/853959457.db2.gz RFHOYHLCUZHYSR-OWCLPIDISA-N 1 1 350.507 0.846 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CCOCC2)C1 ZINC001208627827 853961547 /nfs/dbraw/zinc/96/15/47/853961547.db2.gz BNCAAPJSZJONSY-QLFBSQMISA-N 1 1 355.454 0.880 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CCOCC2)C1 ZINC001208627827 853961550 /nfs/dbraw/zinc/96/15/50/853961550.db2.gz BNCAAPJSZJONSY-QLFBSQMISA-N 1 1 355.454 0.880 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CS(=O)(=O)N(CC)CC)C1 ZINC001209054539 853992996 /nfs/dbraw/zinc/99/29/96/853992996.db2.gz BSPRPJIJLWZROP-HUUCEWRRSA-N 1 1 361.508 0.297 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C1 ZINC001209255590 854008462 /nfs/dbraw/zinc/00/84/62/854008462.db2.gz WWMOBZDSRMAJBG-KFWWJZLASA-N 1 1 361.508 0.199 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001209264565 854009172 /nfs/dbraw/zinc/00/91/72/854009172.db2.gz POHSQJWHSCODSU-HUUCEWRRSA-N 1 1 352.479 0.326 20 30 FCEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001209264565 854009175 /nfs/dbraw/zinc/00/91/75/854009175.db2.gz POHSQJWHSCODSU-HUUCEWRRSA-N 1 1 352.479 0.326 20 30 FCEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H]2OC(C)(C)O[C@@H]2[C@H](O)CO)C1 ZINC001209280414 854012265 /nfs/dbraw/zinc/01/22/65/854012265.db2.gz PLJLLMVDUOZJTL-LJISPDSOSA-N 1 1 358.435 0.236 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001209435282 854027395 /nfs/dbraw/zinc/02/73/95/854027395.db2.gz AKPSZEXRWHXKSX-MPKXVKKWSA-N 1 1 366.849 0.753 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001209435282 854027399 /nfs/dbraw/zinc/02/73/99/854027399.db2.gz AKPSZEXRWHXKSX-MPKXVKKWSA-N 1 1 366.849 0.753 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(COC)n2)C1 ZINC001209859127 854058887 /nfs/dbraw/zinc/05/88/87/854058887.db2.gz ATKBHKOLGVBQFM-FRRDWIJNSA-N 1 1 350.419 0.562 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(COC)n2)C1 ZINC001209859127 854058892 /nfs/dbraw/zinc/05/88/92/854058892.db2.gz ATKBHKOLGVBQFM-FRRDWIJNSA-N 1 1 350.419 0.562 20 30 FCEDMO 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WGANCTCZYWWHPP-RZFFKMDDSA-N 1 1 361.471 0.880 20 30 FCEDMO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000871991741 672591263 /nfs/dbraw/zinc/59/12/63/672591263.db2.gz IQJSWMPJYIRERW-ZDUSSCGKSA-N 1 1 357.332 0.908 20 30 FCEDMO C#CC[C@@H](CCOC)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000875600425 672897644 /nfs/dbraw/zinc/89/76/44/672897644.db2.gz RVOFTJYBDMVYAG-XHSDSOJGSA-N 1 1 353.463 0.147 20 30 FCEDMO C#CCOCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000879204680 673104244 /nfs/dbraw/zinc/10/42/44/673104244.db2.gz JZCJNWABKKVDTI-UHFFFAOYSA-N 1 1 372.210 0.853 20 30 FCEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)c(OC)c1 ZINC000879692847 673135760 /nfs/dbraw/zinc/13/57/60/673135760.db2.gz UDNDHLYCPYKYEU-BBWFWOEESA-N 1 1 351.443 0.696 20 30 FCEDMO CNS(=O)(=O)c1ccc(N2CC[NH+](CCO[C@@H](C)C#N)CC2)cc1 ZINC000880266372 673184672 /nfs/dbraw/zinc/18/46/72/673184672.db2.gz IYGJOMJMVMVCCV-AWEZNQCLSA-N 1 1 352.460 0.645 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001051834412 676111754 /nfs/dbraw/zinc/11/17/54/676111754.db2.gz MWWUQFMVSFXTCQ-ZNMIVQPWSA-N 1 1 351.403 0.591 20 30 FCEDMO COCC[N@@H+]1[C@H](C)CN(c2ccc(C#N)cc2CS(N)(=O)=O)C[C@@H]1C ZINC000882516216 673319286 /nfs/dbraw/zinc/31/92/86/673319286.db2.gz VJVBQCYFHCRDOO-OKILXGFUSA-N 1 1 366.487 0.892 20 30 FCEDMO C=CCO[C@@H](C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001057923593 676131177 /nfs/dbraw/zinc/13/11/77/676131177.db2.gz XOTWJZDLAJHMDZ-HRCADAONSA-N 1 1 355.479 0.245 20 30 FCEDMO C#CCC1(O)CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000883373848 673372792 /nfs/dbraw/zinc/37/27/92/673372792.db2.gz FWIHOZIPTQJRKV-UHFFFAOYSA-N 1 1 350.463 0.099 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000884138357 673429995 /nfs/dbraw/zinc/42/99/95/673429995.db2.gz LNVYPFROAUWTOP-HNNXBMFYSA-N 1 1 356.492 0.103 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)NCC2CCC2)C1 ZINC000884138357 673429997 /nfs/dbraw/zinc/42/99/97/673429997.db2.gz LNVYPFROAUWTOP-HNNXBMFYSA-N 1 1 356.492 0.103 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CCC ZINC001058252772 676145284 /nfs/dbraw/zinc/14/52/84/676145284.db2.gz WUOBTMOQETYZIJ-CVEARBPZSA-N 1 1 355.479 0.247 20 30 FCEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001058472158 676151388 /nfs/dbraw/zinc/15/13/88/676151388.db2.gz LRQJSUCBYLIMLP-BZUAXINKSA-N 1 1 355.479 0.245 20 30 FCEDMO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001058472158 676151391 /nfs/dbraw/zinc/15/13/91/676151391.db2.gz LRQJSUCBYLIMLP-BZUAXINKSA-N 1 1 355.479 0.245 20 30 FCEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000886119092 673558774 /nfs/dbraw/zinc/55/87/74/673558774.db2.gz XSTHBDQRQCLTRN-CVEARBPZSA-N 1 1 371.503 0.558 20 30 FCEDMO N#C[C@]12CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000886205715 673575098 /nfs/dbraw/zinc/57/50/98/673575098.db2.gz WEKBFIGFFTXPMO-UKPHBRMFSA-N 1 1 351.472 0.790 20 30 FCEDMO N#C[C@]12CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000886205715 673575099 /nfs/dbraw/zinc/57/50/99/673575099.db2.gz WEKBFIGFFTXPMO-UKPHBRMFSA-N 1 1 351.472 0.790 20 30 FCEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000886361333 673580899 /nfs/dbraw/zinc/58/08/99/673580899.db2.gz BRRZKNZMKIKVBV-HOCLYGCPSA-N 1 1 363.483 0.726 20 30 FCEDMO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001058444345 676150840 /nfs/dbraw/zinc/15/08/40/676150840.db2.gz MWKALULPASVOMI-DLBZAZTESA-N 1 1 351.491 0.847 20 30 FCEDMO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([S@@](C)(=O)=NC)c1 ZINC000890300519 673627872 /nfs/dbraw/zinc/62/78/72/673627872.db2.gz QURWGGFEMJSCQX-RUZDIDTESA-N 1 1 364.471 0.783 20 30 FCEDMO C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000890129414 673704087 /nfs/dbraw/zinc/70/40/87/673704087.db2.gz PGDOKFPWYUSVKV-IRXDYDNUSA-N 1 1 354.495 0.409 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC000968903187 675247789 /nfs/dbraw/zinc/24/77/89/675247789.db2.gz IKTFAYMAKXLORJ-PMPSAXMXSA-N 1 1 361.467 0.456 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2csc(C)c2)[C@@H](O)C1 ZINC000968903187 675247790 /nfs/dbraw/zinc/24/77/90/675247790.db2.gz IKTFAYMAKXLORJ-PMPSAXMXSA-N 1 1 361.467 0.456 20 30 FCEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC000968951554 675254941 /nfs/dbraw/zinc/25/49/41/675254941.db2.gz XRQKURYGLBMVBD-OLZOCXBDSA-N 1 1 354.838 0.658 20 30 FCEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001015819934 675399112 /nfs/dbraw/zinc/39/91/12/675399112.db2.gz ULTQTFCNLWHWIS-JYJNAYRXSA-N 1 1 350.463 0.573 20 30 FCEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1O ZINC001040943958 675479440 /nfs/dbraw/zinc/47/94/40/675479440.db2.gz GMSFOFPPHYFOGK-OUAUKWLOSA-N 1 1 355.851 0.428 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001041294002 675511679 /nfs/dbraw/zinc/51/16/79/675511679.db2.gz MKLLYHIZPGNXRN-SOLBZPMBSA-N 1 1 370.515 0.937 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001041294002 675511681 /nfs/dbraw/zinc/51/16/81/675511681.db2.gz MKLLYHIZPGNXRN-SOLBZPMBSA-N 1 1 370.515 0.937 20 30 FCEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3nc(Cl)c(C#N)s3)C[C@H]2O)C1 ZINC001041344778 675515802 /nfs/dbraw/zinc/51/58/02/675515802.db2.gz ZANVKVOGLZGWNK-GMTAPVOTSA-N 1 1 369.878 0.676 20 30 FCEDMO C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O ZINC001041344516 675515859 /nfs/dbraw/zinc/51/58/59/675515859.db2.gz WDYKBOHSSQGGTJ-YUSALJHKSA-N 1 1 369.878 0.818 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(Cl)c(=O)[nH]n2)C[C@H]1C ZINC001042621515 675540655 /nfs/dbraw/zinc/54/06/55/675540655.db2.gz SHXFXFDTCRBODT-BNOWGMLFSA-N 1 1 363.849 0.874 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(Cl)c(=O)[nH]n2)C[C@H]1C ZINC001042621515 675540656 /nfs/dbraw/zinc/54/06/56/675540656.db2.gz SHXFXFDTCRBODT-BNOWGMLFSA-N 1 1 363.849 0.874 20 30 FCEDMO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001042977406 675558486 /nfs/dbraw/zinc/55/84/86/675558486.db2.gz LDEPTJIVJAPWGN-KCPJHIHWSA-N 1 1 363.487 0.985 20 30 FCEDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3nc(C#N)c(Cl)s3)C[C@@H]2O)CC[N@H+]1C ZINC001044684319 675643553 /nfs/dbraw/zinc/64/35/53/675643553.db2.gz DOHIKSPFBJPJHV-IQIPOGNMSA-N 1 1 369.878 0.674 20 30 FCEDMO C#CCSCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000900821640 675720416 /nfs/dbraw/zinc/72/04/16/675720416.db2.gz CPAIEFLUSOITBU-UHFFFAOYSA-N 1 1 367.515 0.430 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001046632014 675732471 /nfs/dbraw/zinc/73/24/71/675732471.db2.gz QBHTYEYGACEGMH-RVKKMQEKSA-N 1 1 351.447 0.017 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001046632014 675732474 /nfs/dbraw/zinc/73/24/74/675732474.db2.gz QBHTYEYGACEGMH-RVKKMQEKSA-N 1 1 351.447 0.017 20 30 FCEDMO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001046969545 675769229 /nfs/dbraw/zinc/76/92/29/675769229.db2.gz CUUANNFBZPGXSY-MCIONIFRSA-N 1 1 357.401 0.329 20 30 FCEDMO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001046969545 675769231 /nfs/dbraw/zinc/76/92/31/675769231.db2.gz CUUANNFBZPGXSY-MCIONIFRSA-N 1 1 357.401 0.329 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)[C@H]2C)C1=O ZINC001088576937 1192171685 /nfs/dbraw/zinc/17/16/85/1192171685.db2.gz RQUYETURKHLHMZ-IJEWVQPXSA-N 1 1 357.458 0.809 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCC4)[C@H]2C)C1=O ZINC001088576937 1192171694 /nfs/dbraw/zinc/17/16/94/1192171694.db2.gz RQUYETURKHLHMZ-IJEWVQPXSA-N 1 1 357.458 0.809 20 30 FCEDMO Cc1nn(C)c(N2CCN(C(=O)NCC[N@@H+]3CCC[C@H]3C)CC2)c1C#N ZINC000897497969 1192213808 /nfs/dbraw/zinc/21/38/08/1192213808.db2.gz GIGPKAKSDWFWQQ-CQSZACIVSA-N 1 1 359.478 0.916 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cccn4nnnc34)[C@H]2C)C1=O ZINC001088591722 1192231057 /nfs/dbraw/zinc/23/10/57/1192231057.db2.gz UWRVWDLOCYCFKL-VHDGCEQUSA-N 1 1 369.429 0.104 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cccn4nnnc34)[C@H]2C)C1=O ZINC001088591722 1192231066 /nfs/dbraw/zinc/23/10/66/1192231066.db2.gz UWRVWDLOCYCFKL-VHDGCEQUSA-N 1 1 369.429 0.104 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3cnc[nH]3)[C@@H]2C)CC1 ZINC000988505793 1192236493 /nfs/dbraw/zinc/23/64/93/1192236493.db2.gz DJYSFRPPKKRFMN-QAPCUYQASA-N 1 1 371.485 0.793 20 30 FCEDMO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)c3ncccc3O)[C@@H]2C)CC1 ZINC000988506290 1192238210 /nfs/dbraw/zinc/23/82/10/1192238210.db2.gz KNDYIHNWVWKWCS-ZBFHGGJFSA-N 1 1 370.453 0.852 20 30 FCEDMO C#Cc1cncc(C(=O)N2CCO[C@@H]3C[N@H+]([C@H]4CCCN(C)C4=O)C[C@@H]32)c1 ZINC001083188538 1167906017 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OMJRDZKBLLWVNE-YJBOKZPZSA-N 1 1 358.446 0.274 20 30 FCEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2ccnc2)C1 ZINC001112020580 1182382901 /nfs/dbraw/zinc/38/29/01/1182382901.db2.gz OMJRDZKBLLWVNE-YJBOKZPZSA-N 1 1 358.446 0.274 20 30 FCEDMO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2O)c1 ZINC001025554542 1182471659 /nfs/dbraw/zinc/47/16/59/1182471659.db2.gz NNWJIWHOJRRYDZ-IAGOWNOFSA-N 1 1 370.453 0.096 20 30 FCEDMO C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001025685525 1182691393 /nfs/dbraw/zinc/69/13/93/1182691393.db2.gz MLACIWZKEIMRIQ-KFKAGJAMSA-N 1 1 369.465 0.240 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cc1 ZINC001025691010 1182713947 /nfs/dbraw/zinc/71/39/47/1182713947.db2.gz SRARHIJYPUJIIB-QZTJIDSGSA-N 1 1 369.465 0.701 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1=O ZINC001025815093 1182859179 /nfs/dbraw/zinc/85/91/79/1182859179.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 1 1 355.442 0.347 20 30 FCEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1=O ZINC001025815093 1182859184 /nfs/dbraw/zinc/85/91/84/1182859184.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 1 1 355.442 0.347 20 30 FCEDMO C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1=O ZINC001025815093 1182859185 /nfs/dbraw/zinc/85/91/85/1182859185.db2.gz SFKABVDWBVHEPV-QQURXWMSSA-N 1 1 355.442 0.347 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001026101862 1182890013 /nfs/dbraw/zinc/89/00/13/1182890013.db2.gz NANYTHLMPLYDHY-JVSYPLCOSA-N 1 1 357.458 0.793 20 30 FCEDMO C[C@H](CNC(=O)N1CCC2(CC1)CC(=O)C=CO2)CN1CC[NH+](C)CC1 ZINC000893238358 1182968720 /nfs/dbraw/zinc/96/87/20/1182968720.db2.gz RWFAUDKVGYVBEK-MRXNPFEDSA-N 1 1 364.490 0.917 20 30 FCEDMO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)C[C@H]1C ZINC001104905153 1182989176 /nfs/dbraw/zinc/98/91/76/1182989176.db2.gz ZQBFJKARCUEUMZ-OWCLPIDISA-N 1 1 359.474 0.634 20 30 FCEDMO COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1C ZINC001104905153 1182989185 /nfs/dbraw/zinc/98/91/85/1182989185.db2.gz ZQBFJKARCUEUMZ-OWCLPIDISA-N 1 1 359.474 0.634 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000974180227 1183029455 /nfs/dbraw/zinc/02/94/55/1183029455.db2.gz NMTXIWJZQHVAJS-BPXZUEPWSA-N 1 1 365.474 0.450 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000974180227 1183029459 /nfs/dbraw/zinc/02/94/59/1183029459.db2.gz NMTXIWJZQHVAJS-BPXZUEPWSA-N 1 1 365.474 0.450 20 30 FCEDMO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(=O)NC)C2)CC1 ZINC001105062126 1183098237 /nfs/dbraw/zinc/09/82/37/1183098237.db2.gz APKPYSYGFLEGOX-JFIYKMOQSA-N 1 1 362.518 0.540 20 30 FCEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C(F)(F)F ZINC001112087357 1183143971 /nfs/dbraw/zinc/14/39/71/1183143971.db2.gz AMSOOWVTWGFGGT-IACUBPJLSA-N 1 1 371.359 0.939 20 30 FCEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cc1 ZINC001083302899 1183247849 /nfs/dbraw/zinc/24/78/49/1183247849.db2.gz AJYSWVQHDHKZFH-MSOLQXFVSA-N 1 1 359.426 0.677 20 30 FCEDMO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cc1 ZINC001083302899 1183247856 /nfs/dbraw/zinc/24/78/56/1183247856.db2.gz AJYSWVQHDHKZFH-MSOLQXFVSA-N 1 1 359.426 0.677 20 30 FCEDMO C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1 ZINC001105328789 1183268828 /nfs/dbraw/zinc/26/88/28/1183268828.db2.gz WETHOFSURFNSLN-SJORKVTESA-N 1 1 361.446 0.545 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)cn1 ZINC000974672508 1183427830 /nfs/dbraw/zinc/42/78/30/1183427830.db2.gz YYOPKCJLFQKIML-KBAYOESNSA-N 1 1 352.438 0.830 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)C[C@H]32)nc1 ZINC000974670655 1183432700 /nfs/dbraw/zinc/43/27/00/1183432700.db2.gz CXOMKVHQJXHXDQ-KBAYOESNSA-N 1 1 352.438 0.830 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3nonc3C)[C@@H]2C1 ZINC000974994354 1183634539 /nfs/dbraw/zinc/63/45/39/1183634539.db2.gz WKKGDLMBPULSDT-HYVNUMGLSA-N 1 1 371.441 0.077 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3nonc3C)[C@@H]2C1 ZINC000974994354 1183634545 /nfs/dbraw/zinc/63/45/45/1183634545.db2.gz WKKGDLMBPULSDT-HYVNUMGLSA-N 1 1 371.441 0.077 20 30 FCEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 ZINC000975635487 1183996591 /nfs/dbraw/zinc/99/65/91/1183996591.db2.gz FANMIDWWJIKYQD-XIRDDKMYSA-N 1 1 371.441 0.280 20 30 FCEDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)[C@H]3C2)C1 ZINC000975635487 1183996594 /nfs/dbraw/zinc/99/65/94/1183996594.db2.gz FANMIDWWJIKYQD-XIRDDKMYSA-N 1 1 371.441 0.280 20 30 FCEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1 ZINC000975637884 1184000592 /nfs/dbraw/zinc/00/05/92/1184000592.db2.gz TUBPVXYXJPQMOR-RRQGHBQHSA-N 1 1 371.441 0.280 20 30 FCEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@H]3C2)C1 ZINC000975637884 1184000597 /nfs/dbraw/zinc/00/05/97/1184000597.db2.gz TUBPVXYXJPQMOR-RRQGHBQHSA-N 1 1 371.441 0.280 20 30 FCEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975743224 1185684420 /nfs/dbraw/zinc/68/44/20/1185684420.db2.gz HWLODKQIBAEGOM-OKZBNKHCSA-N 1 1 359.470 0.570 20 30 FCEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CCN(C(=O)C#CC4CC4)[C@H]3C2)C1 ZINC000975743224 1185684427 /nfs/dbraw/zinc/68/44/27/1185684427.db2.gz HWLODKQIBAEGOM-OKZBNKHCSA-N 1 1 359.470 0.570 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3cccn3)[C@H]2C1 ZINC000975776107 1185752069 /nfs/dbraw/zinc/75/20/69/1185752069.db2.gz UADVXOCHDDIGRL-BZSNNMDCSA-N 1 1 369.469 0.430 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3cccn3)[C@H]2C1 ZINC000975776107 1185752097 /nfs/dbraw/zinc/75/20/97/1185752097.db2.gz UADVXOCHDDIGRL-BZSNNMDCSA-N 1 1 369.469 0.430 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n[nH]1 ZINC000976365321 1185922847 /nfs/dbraw/zinc/92/28/47/1185922847.db2.gz URQSFWKECGIYRO-INMHGKMJSA-N 1 1 357.458 0.973 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n[nH]1 ZINC000976365321 1185922853 /nfs/dbraw/zinc/92/28/53/1185922853.db2.gz URQSFWKECGIYRO-INMHGKMJSA-N 1 1 357.458 0.973 20 30 FCEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)O1 ZINC000978738144 1185997365 /nfs/dbraw/zinc/99/73/65/1185997365.db2.gz NFAHENYOEHBJSN-UNIGVISCSA-N 1 1 359.430 0.230 20 30 FCEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)O1 ZINC000978738144 1185997370 /nfs/dbraw/zinc/99/73/70/1185997370.db2.gz NFAHENYOEHBJSN-UNIGVISCSA-N 1 1 359.430 0.230 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000979326048 1186081050 /nfs/dbraw/zinc/08/10/50/1186081050.db2.gz WMXRRQBRMRAJGG-WKULXVSPSA-N 1 1 359.470 0.686 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000979326048 1186081054 /nfs/dbraw/zinc/08/10/54/1186081054.db2.gz WMXRRQBRMRAJGG-WKULXVSPSA-N 1 1 359.470 0.686 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000979327477 1186081704 /nfs/dbraw/zinc/08/17/04/1186081704.db2.gz AQBBCANTFRTVPG-BPKGMFCQSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000979327477 1186081710 /nfs/dbraw/zinc/08/17/10/1186081710.db2.gz AQBBCANTFRTVPG-BPKGMFCQSA-N 1 1 365.474 0.309 20 30 FCEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000979347042 1186086631 /nfs/dbraw/zinc/08/66/31/1186086631.db2.gz YGLLBKDJNVNECO-SUMCQTLJSA-N 1 1 359.470 0.663 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000979347042 1186086637 /nfs/dbraw/zinc/08/66/37/1186086637.db2.gz YGLLBKDJNVNECO-SUMCQTLJSA-N 1 1 359.470 0.663 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000979852710 1186129174 /nfs/dbraw/zinc/12/91/74/1186129174.db2.gz FOJRVNWCMOENPU-WOYTXXSLSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000979852710 1186129177 /nfs/dbraw/zinc/12/91/77/1186129177.db2.gz FOJRVNWCMOENPU-WOYTXXSLSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000979888777 1186135590 /nfs/dbraw/zinc/13/55/90/1186135590.db2.gz UYHYSLOOVLAFBX-MTSZKFMLSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000979888777 1186135595 /nfs/dbraw/zinc/13/55/95/1186135595.db2.gz UYHYSLOOVLAFBX-MTSZKFMLSA-N 1 1 365.474 0.309 20 30 FCEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC001027889945 1186194329 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C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1nnc(C)[nH]1)C2 ZINC001109248323 1200120599 /nfs/dbraw/zinc/12/05/99/1200120599.db2.gz DPDCQOMXLRBKOK-PMPSAXMXSA-N 1 1 372.473 0.578 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)C2 ZINC001109288275 1200145092 /nfs/dbraw/zinc/14/50/92/1200145092.db2.gz URJOCTIOCSNXAF-JHNDHUHGSA-N 1 1 371.441 0.134 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)C2 ZINC001109288275 1200145095 /nfs/dbraw/zinc/14/50/95/1200145095.db2.gz URJOCTIOCSNXAF-JHNDHUHGSA-N 1 1 371.441 0.134 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]cnc31)C2 ZINC001109347934 1200201508 /nfs/dbraw/zinc/20/15/08/1200201508.db2.gz MVSKDQRTCYYECH-NEBZKDRISA-N 1 1 366.425 0.431 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc3[nH]cnc31)C2 ZINC001109347934 1200201512 /nfs/dbraw/zinc/20/15/12/1200201512.db2.gz MVSKDQRTCYYECH-NEBZKDRISA-N 1 1 366.425 0.431 20 30 FCEDMO C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C(=O)C2CC2)C3)C1=O ZINC001109367142 1200209037 /nfs/dbraw/zinc/20/90/37/1200209037.db2.gz CGHKRRSPXFSHHF-LTIDMASMSA-N 1 1 374.485 0.363 20 30 FCEDMO C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C(=O)C2CC2)C3)C1=O ZINC001109367142 1200209044 /nfs/dbraw/zinc/20/90/44/1200209044.db2.gz CGHKRRSPXFSHHF-LTIDMASMSA-N 1 1 374.485 0.363 20 30 FCEDMO COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109368426 1200210567 /nfs/dbraw/zinc/21/05/67/1200210567.db2.gz TYQQQEBACZIXRS-SQNIBIBYSA-N 1 1 370.453 0.885 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)C1CC1)C2 ZINC001109368294 1200211359 /nfs/dbraw/zinc/21/13/59/1200211359.db2.gz MOASQDSIVQYVGY-UKMLZYKCSA-N 1 1 362.474 0.267 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C(=O)C1CC1)C2 ZINC001109368294 1200211366 /nfs/dbraw/zinc/21/13/66/1200211366.db2.gz MOASQDSIVQYVGY-UKMLZYKCSA-N 1 1 362.474 0.267 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC001109362669 1200214440 /nfs/dbraw/zinc/21/44/40/1200214440.db2.gz AJFIMKJYUIANNU-NCOADZHNSA-N 1 1 374.485 0.387 20 30 FCEDMO C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C2 ZINC001109362669 1200214443 /nfs/dbraw/zinc/21/44/43/1200214443.db2.gz AJFIMKJYUIANNU-NCOADZHNSA-N 1 1 374.485 0.387 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCNC(=O)C1CC1 ZINC001109414949 1200258867 /nfs/dbraw/zinc/25/88/67/1200258867.db2.gz UXHLBLYSGHROHM-OWSLCNJRSA-N 1 1 358.486 0.332 20 30 FCEDMO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCNC(=O)C1CC1 ZINC001109414949 1200258871 /nfs/dbraw/zinc/25/88/71/1200258871.db2.gz UXHLBLYSGHROHM-OWSLCNJRSA-N 1 1 358.486 0.332 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C2 ZINC001109438023 1200282447 /nfs/dbraw/zinc/28/24/47/1200282447.db2.gz WWTLTROJRRDLLR-KBXIAJHMSA-N 1 1 373.457 0.413 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)C2 ZINC001109438023 1200282449 /nfs/dbraw/zinc/28/24/49/1200282449.db2.gz WWTLTROJRRDLLR-KBXIAJHMSA-N 1 1 373.457 0.413 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001109437567 1200283157 /nfs/dbraw/zinc/28/31/57/1200283157.db2.gz BGGOQBNAWSGGTJ-VZAMPYOESA-N 1 1 368.441 0.984 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nc[nH]c3n1)C2 ZINC001109437567 1200283169 /nfs/dbraw/zinc/28/31/69/1200283169.db2.gz BGGOQBNAWSGGTJ-VZAMPYOESA-N 1 1 368.441 0.984 20 30 FCEDMO COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001109469948 1200311105 /nfs/dbraw/zinc/31/11/05/1200311105.db2.gz NYVSMXSFRTWKIR-IPYPFGDCSA-N 1 1 355.398 0.648 20 30 FCEDMO COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)C2 ZINC001109469948 1200311114 /nfs/dbraw/zinc/31/11/14/1200311114.db2.gz NYVSMXSFRTWKIR-IPYPFGDCSA-N 1 1 355.398 0.648 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccn31)C2 ZINC001109470455 1200313832 /nfs/dbraw/zinc/31/38/32/1200313832.db2.gz XLPCDUFLZJLAOC-FZKCQIBNSA-N 1 1 365.437 0.807 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccn31)C2 ZINC001109470455 1200313839 /nfs/dbraw/zinc/31/38/39/1200313839.db2.gz XLPCDUFLZJLAOC-FZKCQIBNSA-N 1 1 365.437 0.807 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ncnn31)C2 ZINC001109490219 1200334075 /nfs/dbraw/zinc/33/40/75/1200334075.db2.gz KQYWOALSEOEPFJ-KBXIAJHMSA-N 1 1 368.441 0.755 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3ncnn31)C2 ZINC001109490219 1200334085 /nfs/dbraw/zinc/33/40/85/1200334085.db2.gz KQYWOALSEOEPFJ-KBXIAJHMSA-N 1 1 368.441 0.755 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001109502430 1200343934 /nfs/dbraw/zinc/34/39/34/1200343934.db2.gz CHEUOPOQNFKUHW-UKMLZYKCSA-N 1 1 371.437 0.730 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(=O)oc1C)C2 ZINC001109502430 1200343947 /nfs/dbraw/zinc/34/39/47/1200343947.db2.gz CHEUOPOQNFKUHW-UKMLZYKCSA-N 1 1 371.437 0.730 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(=O)[nH]c1)C2 ZINC001109533984 1200362452 /nfs/dbraw/zinc/36/24/52/1200362452.db2.gz ZAVGLVDZOXCRSB-UKMLZYKCSA-N 1 1 358.442 0.742 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(=O)[nH]c1)C2 ZINC001109533984 1200362458 /nfs/dbraw/zinc/36/24/58/1200362458.db2.gz ZAVGLVDZOXCRSB-UKMLZYKCSA-N 1 1 358.442 0.742 20 30 FCEDMO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)C2 ZINC001109585293 1200406449 /nfs/dbraw/zinc/40/64/49/1200406449.db2.gz MYTVQAHJYDTCSA-PMPSAXMXSA-N 1 1 360.458 0.935 20 30 FCEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CN1C(=O)CCC1=O ZINC001109658117 1200448255 /nfs/dbraw/zinc/44/82/55/1200448255.db2.gz RLBJZFZWHMENKH-WCVJEAGWSA-N 1 1 363.458 0.574 20 30 FCEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(=O)n(C)c(=O)n1C ZINC001109679180 1200463874 /nfs/dbraw/zinc/46/38/74/1200463874.db2.gz UFZCJWUGSCPCRR-WJCADGGCSA-N 1 1 374.485 0.908 20 30 FCEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(=O)n(C)c(=O)n1C ZINC001109679180 1200463885 /nfs/dbraw/zinc/46/38/85/1200463885.db2.gz UFZCJWUGSCPCRR-WJCADGGCSA-N 1 1 374.485 0.908 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)C2 ZINC001109735517 1200493919 /nfs/dbraw/zinc/49/39/19/1200493919.db2.gz LCVWQARTKYIJDU-XBFCOCLRSA-N 1 1 360.414 0.433 20 30 FCEDMO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)C2 ZINC001109735517 1200493924 /nfs/dbraw/zinc/49/39/24/1200493924.db2.gz LCVWQARTKYIJDU-XBFCOCLRSA-N 1 1 360.414 0.433 20 30 FCEDMO CCOC(=O)CON=C(C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccn[nH]1 ZINC000770836470 1200501822 /nfs/dbraw/zinc/50/18/22/1200501822.db2.gz ZBGQLNXBAOIOKX-CYBMUJFWSA-N 1 1 365.434 0.684 20 30 FCEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)C2 ZINC001109786845 1200520261 /nfs/dbraw/zinc/52/02/61/1200520261.db2.gz PBRBFFCMQPBWBW-MQYQWHSLSA-N 1 1 362.430 0.483 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn(C)nc1C)C2 ZINC001109800765 1200533009 /nfs/dbraw/zinc/53/30/09/1200533009.db2.gz QHPBPQCACDSEAN-BGTYHANMSA-N 1 1 371.485 0.521 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cn(C)nc1C)C2 ZINC001109800765 1200533017 /nfs/dbraw/zinc/53/30/17/1200533017.db2.gz QHPBPQCACDSEAN-BGTYHANMSA-N 1 1 371.485 0.521 20 30 FCEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)nn1 ZINC001109814169 1200539262 /nfs/dbraw/zinc/53/92/62/1200539262.db2.gz PCMVCLSHDPMFFL-YCPHGPKFSA-N 1 1 358.446 0.325 20 30 FCEDMO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)nn1 ZINC001109814169 1200539269 /nfs/dbraw/zinc/53/92/69/1200539269.db2.gz PCMVCLSHDPMFFL-YCPHGPKFSA-N 1 1 358.446 0.325 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncc[nH]1)C2 ZINC001109881149 1200580166 /nfs/dbraw/zinc/58/01/66/1200580166.db2.gz FATAFBXUSLFJCE-ILXRZTDVSA-N 1 1 358.446 0.436 20 30 FCEDMO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ncc[nH]1)C2 ZINC001109881149 1200580170 /nfs/dbraw/zinc/58/01/70/1200580170.db2.gz FATAFBXUSLFJCE-ILXRZTDVSA-N 1 1 358.446 0.436 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccncc1)C2 ZINC001109888465 1200590420 /nfs/dbraw/zinc/59/04/20/1200590420.db2.gz HQSNXTDRMLRHTC-RANZSIQMSA-N 1 1 370.453 0.458 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCc1ccncc1)C2 ZINC001109888465 1200590428 /nfs/dbraw/zinc/59/04/28/1200590428.db2.gz HQSNXTDRMLRHTC-RANZSIQMSA-N 1 1 370.453 0.458 20 30 FCEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)C2 ZINC001109960865 1200636293 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ZINC001130179677 1201524164 /nfs/dbraw/zinc/52/41/64/1201524164.db2.gz PRIZDAQFAAMEGO-GJZGRUSLSA-N 1 1 354.414 0.615 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnc2)n[nH]1 ZINC001130179677 1201524167 /nfs/dbraw/zinc/52/41/67/1201524167.db2.gz PRIZDAQFAAMEGO-GJZGRUSLSA-N 1 1 354.414 0.615 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnc(C)cn2)n1 ZINC001130181963 1201525979 /nfs/dbraw/zinc/52/59/79/1201525979.db2.gz ZZCCTFBHZSPJOO-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnc(C)cn2)n[nH]1 ZINC001130181963 1201525983 /nfs/dbraw/zinc/52/59/83/1201525983.db2.gz ZZCCTFBHZSPJOO-ZFWWWQNUSA-N 1 1 369.429 0.319 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nn2C)[nH]1 ZINC001130187623 1201528012 /nfs/dbraw/zinc/52/80/12/1201528012.db2.gz AFOIHSVSWLWLJC-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CCCO2)n1 ZINC001130187952 1201529272 /nfs/dbraw/zinc/52/92/72/1201529272.db2.gz RVOUUCGWABBZCA-ILXRZTDVSA-N 1 1 361.446 0.475 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CCCO2)n[nH]1 ZINC001130187952 1201529275 /nfs/dbraw/zinc/52/92/75/1201529275.db2.gz RVOUUCGWABBZCA-ILXRZTDVSA-N 1 1 361.446 0.475 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(F)c2)[nH]1 ZINC001130190971 1201530727 /nfs/dbraw/zinc/53/07/27/1201530727.db2.gz WWSIGLGLSIASBB-STQMWFEESA-N 1 1 358.377 0.364 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnc(F)c2)n[nH]1 ZINC001130190971 1201530734 /nfs/dbraw/zinc/53/07/34/1201530734.db2.gz WWSIGLGLSIASBB-STQMWFEESA-N 1 1 358.377 0.364 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCOC2)n1 ZINC001130193277 1201531449 /nfs/dbraw/zinc/53/14/49/1201531449.db2.gz PZTHMRNXJFYXAW-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CCCOC2)n[nH]1 ZINC001130193277 1201531454 /nfs/dbraw/zinc/53/14/54/1201531454.db2.gz PZTHMRNXJFYXAW-KKUMJFAQSA-N 1 1 361.446 0.333 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncc2F)n1 ZINC001130195780 1201531995 /nfs/dbraw/zinc/53/19/95/1201531995.db2.gz BZTDOJILEXZFMU-JSGCOSHPSA-N 1 1 360.393 0.917 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncc2F)n[nH]1 ZINC001130195780 1201532001 /nfs/dbraw/zinc/53/20/01/1201532001.db2.gz BZTDOJILEXZFMU-JSGCOSHPSA-N 1 1 360.393 0.917 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc[nH]c(=O)c2)n1 ZINC001130198409 1201533434 /nfs/dbraw/zinc/53/34/34/1201533434.db2.gz JPMOKMSNFPVHFI-KBPBESRZSA-N 1 1 370.413 0.321 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c(=O)c2)n[nH]1 ZINC001130198409 1201533441 /nfs/dbraw/zinc/53/34/41/1201533441.db2.gz JPMOKMSNFPVHFI-KBPBESRZSA-N 1 1 370.413 0.321 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(=O)[nH]2)n1 ZINC001130198556 1201534423 /nfs/dbraw/zinc/53/44/23/1201534423.db2.gz OZBXMNMQSOLULE-JSGCOSHPSA-N 1 1 370.413 0.321 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(=O)[nH]2)n[nH]1 ZINC001130198556 1201534427 /nfs/dbraw/zinc/53/44/27/1201534427.db2.gz OZBXMNMQSOLULE-JSGCOSHPSA-N 1 1 370.413 0.321 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCOC)n1 ZINC001130198703 1201534516 /nfs/dbraw/zinc/53/45/16/1201534516.db2.gz WTHLRMQFDONAJR-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCOC)n[nH]1 ZINC001130198703 1201534519 /nfs/dbraw/zinc/53/45/19/1201534519.db2.gz WTHLRMQFDONAJR-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccc(C)n2)n1 ZINC001130185173 1201538821 /nfs/dbraw/zinc/53/88/21/1201538821.db2.gz ZJZFOIJMEVULPJ-HOCLYGCPSA-N 1 1 368.441 0.924 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccc(C)n2)n[nH]1 ZINC001130185173 1201538822 /nfs/dbraw/zinc/53/88/22/1201538822.db2.gz ZJZFOIJMEVULPJ-HOCLYGCPSA-N 1 1 368.441 0.924 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001130204939 1201540390 /nfs/dbraw/zinc/54/03/90/1201540390.db2.gz NSAHLVABMBZCKU-GJZGRUSLSA-N 1 1 369.429 0.973 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC001130204939 1201540392 /nfs/dbraw/zinc/54/03/92/1201540392.db2.gz NSAHLVABMBZCKU-GJZGRUSLSA-N 1 1 369.429 0.973 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130207545 1201541736 /nfs/dbraw/zinc/54/17/36/1201541736.db2.gz FVOGFYJBLRZDOV-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO C#CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130207545 1201541739 /nfs/dbraw/zinc/54/17/39/1201541739.db2.gz FVOGFYJBLRZDOV-KKUMJFAQSA-N 1 1 363.462 0.577 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n[nH]1 ZINC001130209517 1201542806 /nfs/dbraw/zinc/54/28/06/1201542806.db2.gz FBCLTPLNSHAGKZ-DEYYWGMASA-N 1 1 365.478 0.866 20 30 FCEDMO C=C[C@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(C)C)n1 ZINC001130209517 1201542809 /nfs/dbraw/zinc/54/28/09/1201542809.db2.gz FBCLTPLNSHAGKZ-DEYYWGMASA-N 1 1 365.478 0.866 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(O)CCC2)[nH]1 ZINC001130210095 1201543679 /nfs/dbraw/zinc/54/36/79/1201543679.db2.gz WFUUYKCFWNRIOB-KBPBESRZSA-N 1 1 361.446 0.211 20 30 FCEDMO C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919940 1224681228 /nfs/dbraw/zinc/68/12/28/1224681228.db2.gz UOTPDMICGVJKPG-CVEARBPZSA-N 1 1 366.506 0.103 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2CCC)[nH]1 ZINC001130216184 1201546595 /nfs/dbraw/zinc/54/65/95/1201546595.db2.gz PZOHPPMJBZFROJ-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnn2CCC)n[nH]1 ZINC001130216184 1201546598 /nfs/dbraw/zinc/54/65/98/1201546598.db2.gz PZOHPPMJBZFROJ-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(COC)CC2)[nH]1 ZINC001130222723 1201552162 /nfs/dbraw/zinc/55/21/62/1201552162.db2.gz BYVKRTZSDGOQHZ-KBPBESRZSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C2CCC2)[nH]1 ZINC001130225065 1201554168 /nfs/dbraw/zinc/55/41/68/1201554168.db2.gz QMWFRXPMVJTVMY-OFQRWUPVSA-N 1 1 361.446 0.331 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCO)n[nH]1 ZINC001130232938 1201558248 /nfs/dbraw/zinc/55/82/48/1201558248.db2.gz UYWKJUZPTAZXLO-KKUMJFAQSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCO)n1 ZINC001130232938 1201558250 /nfs/dbraw/zinc/55/82/50/1201558250.db2.gz UYWKJUZPTAZXLO-KKUMJFAQSA-N 1 1 365.478 0.868 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]2(F)CCOC2)n1 ZINC001130235210 1201559032 /nfs/dbraw/zinc/55/90/32/1201559032.db2.gz YOROQYXHTKVUOY-DCGLDWPTSA-N 1 1 367.425 0.588 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@]2(F)CCOC2)n[nH]1 ZINC001130235210 1201559035 /nfs/dbraw/zinc/55/90/35/1201559035.db2.gz YOROQYXHTKVUOY-DCGLDWPTSA-N 1 1 367.425 0.588 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCF)n[nH]1 ZINC001130238194 1201562051 /nfs/dbraw/zinc/56/20/51/1201562051.db2.gz YIAJHLYTHXTFGZ-CRWXNKLISA-N 1 1 367.425 0.444 20 30 FCEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCF)n1 ZINC001130238194 1201562057 /nfs/dbraw/zinc/56/20/57/1201562057.db2.gz YIAJHLYTHXTFGZ-CRWXNKLISA-N 1 1 367.425 0.444 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2c[nH]cn2)n1 ZINC001130242293 1201562395 /nfs/dbraw/zinc/56/23/95/1201562395.db2.gz PYPBUANZMJZWPL-KBPBESRZSA-N 1 1 359.434 0.425 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)CCOC2)[nH]1 ZINC001130244342 1201563779 /nfs/dbraw/zinc/56/37/79/1201563779.db2.gz HQAFHSAMCLXJFP-SUNYJGFJSA-N 1 1 361.446 0.333 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccncn2)n1 ZINC001130244212 1201564306 /nfs/dbraw/zinc/56/43/06/1201564306.db2.gz DJGGYCDOBQLNCM-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccncn2)n[nH]1 ZINC001130244212 1201564316 /nfs/dbraw/zinc/56/43/16/1201564316.db2.gz DJGGYCDOBQLNCM-JSGCOSHPSA-N 1 1 355.402 0.010 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001219922731 1224682909 /nfs/dbraw/zinc/68/29/09/1224682909.db2.gz DKCQKPRQCRDFIY-CVEARBPZSA-N 1 1 357.414 0.245 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001219922731 1224682910 /nfs/dbraw/zinc/68/29/10/1224682910.db2.gz DKCQKPRQCRDFIY-CVEARBPZSA-N 1 1 357.414 0.245 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCC)n[nH]2)nc1 ZINC001130246663 1201566023 /nfs/dbraw/zinc/56/60/23/1201566023.db2.gz LSZMZAVCTMCITC-HOCLYGCPSA-N 1 1 368.441 0.983 20 30 FCEDMO C#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCC)n2)nc1 ZINC001130246663 1201566030 /nfs/dbraw/zinc/56/60/30/1201566030.db2.gz LSZMZAVCTMCITC-HOCLYGCPSA-N 1 1 368.441 0.983 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(CC)cn2)[nH]1 ZINC001130246076 1201566170 /nfs/dbraw/zinc/56/61/70/1201566170.db2.gz CWNKWLXTEAEHIS-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ncccn2)n1 ZINC001130247074 1201567013 /nfs/dbraw/zinc/56/70/13/1201567013.db2.gz SUMUIBCBOJAXSH-KBPBESRZSA-N 1 1 371.445 0.953 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccn2)n[nH]1 ZINC001130247074 1201567018 /nfs/dbraw/zinc/56/70/18/1201567018.db2.gz SUMUIBCBOJAXSH-KBPBESRZSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC(F)(F)C2)[nH]1 ZINC001130249097 1201569100 /nfs/dbraw/zinc/56/91/00/1201569100.db2.gz JPHHGYDMYMWNMB-RYUDHWBXSA-N 1 1 367.400 0.952 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)COCCOCC)n1 ZINC001130251415 1201570057 /nfs/dbraw/zinc/57/00/57/1201570057.db2.gz TUQADKZPCQWZKR-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCCOCC)n[nH]1 ZINC001130251415 1201570063 /nfs/dbraw/zinc/57/00/63/1201570063.db2.gz TUQADKZPCQWZKR-KBPBESRZSA-N 1 1 367.450 0.122 20 30 FCEDMO COCC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001130389441 1201587949 /nfs/dbraw/zinc/58/79/49/1201587949.db2.gz RSIWRJRIAYQTHO-ALKREAHSSA-N 1 1 358.442 0.502 20 30 FCEDMO Cc1cnc(COCC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)o1 ZINC001219986423 1224716299 /nfs/dbraw/zinc/71/62/99/1224716299.db2.gz XGCXCNZWXAOKER-SJORKVTESA-N 1 1 370.409 0.733 20 30 FCEDMO Cc1cnc(COCC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)o1 ZINC001219986423 1224716303 /nfs/dbraw/zinc/71/63/03/1224716303.db2.gz XGCXCNZWXAOKER-SJORKVTESA-N 1 1 370.409 0.733 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001130578063 1202721526 /nfs/dbraw/zinc/72/15/26/1202721526.db2.gz BWDHEOKTNMAXRM-OFQRWUPVSA-N 1 1 370.461 0.392 20 30 FCEDMO C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001130593198 1202727303 /nfs/dbraw/zinc/72/73/03/1202727303.db2.gz VEQKFBJNHSPNJN-RPVQJOFSSA-N 1 1 371.441 0.839 20 30 FCEDMO Cc1nccc(CCC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001220062723 1224742235 /nfs/dbraw/zinc/74/22/35/1224742235.db2.gz BYKHQWDRKCRUJS-MOPGFXCFSA-N 1 1 365.437 0.951 20 30 FCEDMO Cc1nccc(CCC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001220062723 1224742238 /nfs/dbraw/zinc/74/22/38/1224742238.db2.gz BYKHQWDRKCRUJS-MOPGFXCFSA-N 1 1 365.437 0.951 20 30 FCEDMO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130690072 1202754682 /nfs/dbraw/zinc/75/46/82/1202754682.db2.gz VQJCBKAGQHOQGG-QILLFSRXSA-N 1 1 354.458 0.929 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3cccn3)n[nH]2)O1 ZINC001130758032 1202780792 /nfs/dbraw/zinc/78/07/92/1202780792.db2.gz OGZWVXJSFOSOJD-LSDHHAIUSA-N 1 1 371.445 0.541 20 30 FCEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](O)C1 ZINC001220072300 1224745128 /nfs/dbraw/zinc/74/51/28/1224745128.db2.gz PCXRTAUNMLZCAQ-XPKDYRNWSA-N 1 1 359.430 0.461 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3C)n[nH]2)O1 ZINC001130775382 1202783766 /nfs/dbraw/zinc/78/37/66/1202783766.db2.gz SZTFCCIINCHUGP-GXTWGEPZSA-N 1 1 359.434 0.772 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCOC3)n[nH]2)O1 ZINC001130765279 1202784251 /nfs/dbraw/zinc/78/42/51/1202784251.db2.gz KNZVZEDHFCUNGI-SOUVJXGZSA-N 1 1 361.446 0.681 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cc(C)cn3)n[nH]2)O1 ZINC001130765522 1202784492 /nfs/dbraw/zinc/78/44/92/1202784492.db2.gz WHTCJPRPMXZERX-UONOGXRCSA-N 1 1 357.418 0.069 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCC3CC3)n[nH]2)O1 ZINC001130765574 1202784560 /nfs/dbraw/zinc/78/45/60/1202784560.db2.gz YDEHERFBCBQJAN-AEGPPILISA-N 1 1 361.446 0.679 20 30 FCEDMO C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@H](O)COC)O2)n1 ZINC001130767422 1202785061 /nfs/dbraw/zinc/78/50/61/1202785061.db2.gz IFBPBMLAQRTCOS-MELADBBJSA-N 1 1 367.450 0.204 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCOC3)n[nH]2)O1 ZINC001130770188 1202786432 /nfs/dbraw/zinc/78/64/32/1202786432.db2.gz WYRQYWSPYLCMPZ-SOUVJXGZSA-N 1 1 361.446 0.681 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ocnc3C)n[nH]2)O1 ZINC001130772175 1202787394 /nfs/dbraw/zinc/78/73/94/1202787394.db2.gz BKJBAGPMKRIKGS-QWHCGFSZSA-N 1 1 358.402 0.864 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)ncn3)n[nH]2)O1 ZINC001130776625 1202790139 /nfs/dbraw/zinc/79/01/39/1202790139.db2.gz ISRQOJWFQPYUDL-DZGCQCFKSA-N 1 1 369.429 0.666 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[nH]2)O1 ZINC001130777201 1202790912 /nfs/dbraw/zinc/79/09/12/1202790912.db2.gz WHHKMNOCYGQEBO-UONOGXRCSA-N 1 1 353.386 0.377 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[nH]2)O1 ZINC001130777021 1202791055 /nfs/dbraw/zinc/79/10/55/1202791055.db2.gz SACVEMQJJZOVSS-UONOGXRCSA-N 1 1 355.402 0.930 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3C)n[nH]2)O1 ZINC001130780948 1202792509 /nfs/dbraw/zinc/79/25/09/1202792509.db2.gz HCXDVFGUKJMPSD-DZGCQCFKSA-N 1 1 354.414 0.881 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncnc3)n[nH]2)O1 ZINC001130781178 1202793192 /nfs/dbraw/zinc/79/31/92/1202793192.db2.gz RYGUHPMCRAWVPP-LSDHHAIUSA-N 1 1 371.445 0.839 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cnn3C)n[nH]2)O1 ZINC001130796426 1202796668 /nfs/dbraw/zinc/79/66/68/1202796668.db2.gz QTFQTULJNRUTOM-QWHCGFSZSA-N 1 1 357.418 0.220 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc4n3CCC4)n[nH]2)O1 ZINC001130790043 1202797900 /nfs/dbraw/zinc/79/79/00/1202797900.db2.gz FLVDLYVQYQYSPJ-GXTWGEPZSA-N 1 1 371.445 0.873 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n[nH]2)O1 ZINC001130792445 1202800183 /nfs/dbraw/zinc/80/01/83/1202800183.db2.gz DYTHTGFXRCKWAK-XYBQSECOSA-N 1 1 371.441 0.287 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)[n-]2)O1 ZINC001130809045 1202801492 /nfs/dbraw/zinc/80/14/92/1202801492.db2.gz DNXBDPAXEGSMLC-SOUVJXGZSA-N 1 1 360.462 0.348 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccc(C)n3)n[nH]2)O1 ZINC001130809432 1202802404 /nfs/dbraw/zinc/80/24/04/1202802404.db2.gz YFEFOOPHUCGTTE-UONOGXRCSA-N 1 1 359.434 0.622 20 30 FCEDMO CC#CCCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]C[C@@H](C)O)O2)n1 ZINC001130802541 1202803813 /nfs/dbraw/zinc/80/38/13/1202803813.db2.gz ZKDVWNDEZSIEPV-QLFBSQMISA-N 1 1 363.462 0.805 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3conc3CC)n[nH]2)O1 ZINC001130802546 1202803825 /nfs/dbraw/zinc/80/38/25/1202803825.db2.gz ZSXHKLYKZOCEOY-SMDDNHRTSA-N 1 1 358.402 0.728 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)COC)n[nH]2)O1 ZINC001130813105 1202805630 /nfs/dbraw/zinc/80/56/30/1202805630.db2.gz IFPANLXOHNAPSD-QLFBSQMISA-N 1 1 363.462 0.927 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc4c([nH]3)CCC4)n[nH]2)O1 ZINC001130815931 1202806772 /nfs/dbraw/zinc/80/67/72/1202806772.db2.gz HJWGJCVWHKXKMB-XJKSGUPXSA-N 1 1 368.441 0.994 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccn3CC)n[nH]2)O1 ZINC001130817154 1202807677 /nfs/dbraw/zinc/80/76/77/1202807677.db2.gz BYJBKASLYYOQSX-DZGCQCFKSA-N 1 1 356.430 0.999 20 30 FCEDMO C#CCNC(=O)C1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000747371418 1202811736 /nfs/dbraw/zinc/81/17/36/1202811736.db2.gz RHDBYMWPCQQIKP-UHFFFAOYSA-N 1 1 368.441 0.636 20 30 FCEDMO C#CCCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001130964488 1202833390 /nfs/dbraw/zinc/83/33/90/1202833390.db2.gz NJSFCDIBGZJHRZ-HZPDHXFCSA-N 1 1 369.473 0.826 20 30 FCEDMO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CC[C@H](CC(N)=O)C2)C1=O ZINC000808227212 1202877378 /nfs/dbraw/zinc/87/73/78/1202877378.db2.gz MMGZRTUJWBBAIJ-ACJLOTCBSA-N 1 1 355.398 0.480 20 30 FCEDMO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CC[C@H](CC(N)=O)C2)C1=O ZINC000808227212 1202877380 /nfs/dbraw/zinc/87/73/80/1202877380.db2.gz MMGZRTUJWBBAIJ-ACJLOTCBSA-N 1 1 355.398 0.480 20 30 FCEDMO C#CCOc1ccc(C(=O)N[C@H]2CC(=O)N(CC[N@H+](C)CCOC)C2)cc1 ZINC000808269236 1202878647 /nfs/dbraw/zinc/87/86/47/1202878647.db2.gz HGMWOVPXAUAKJC-KRWDZBQOSA-N 1 1 373.453 0.608 20 30 FCEDMO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCCCC)C1 ZINC001131304243 1202882558 /nfs/dbraw/zinc/88/25/58/1202882558.db2.gz JCVVGBMXEBEVTB-BBWFWOEESA-N 1 1 363.458 0.932 20 30 FCEDMO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)COCCCC)C1 ZINC001131304243 1202882559 /nfs/dbraw/zinc/88/25/59/1202882559.db2.gz JCVVGBMXEBEVTB-BBWFWOEESA-N 1 1 363.458 0.932 20 30 FCEDMO C#CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001131310654 1202885235 /nfs/dbraw/zinc/88/52/35/1202885235.db2.gz YRJOGLNWFNUFLB-XHSDSOJGSA-N 1 1 362.474 0.456 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001131312920 1202887309 /nfs/dbraw/zinc/88/73/09/1202887309.db2.gz BRPYWHMAALJQLD-CFVMTHIKSA-N 1 1 361.402 0.755 20 30 FCEDMO C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]Cc2cnn(C)n2)CC1 ZINC001131454101 1202898475 /nfs/dbraw/zinc/89/84/75/1202898475.db2.gz LTJLMOCDPCEWBK-AEFFLSMTSA-N 1 1 363.462 0.503 20 30 FCEDMO C#C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000809307345 1202924177 /nfs/dbraw/zinc/92/41/77/1202924177.db2.gz CYBGKXKRKYPVBB-CVEARBPZSA-N 1 1 365.474 0.100 20 30 FCEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C[N@H+]1C1CC1 ZINC000809363699 1202927847 /nfs/dbraw/zinc/92/78/47/1202927847.db2.gz QBMYXYWJVOHDQR-OCCSQVGLSA-N 1 1 356.430 0.223 20 30 FCEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 ZINC000809504342 1202931334 /nfs/dbraw/zinc/93/13/34/1202931334.db2.gz JINTUKBVXRAKOQ-HNNXBMFYSA-N 1 1 358.442 0.983 20 30 FCEDMO C#CCNC(=O)C1CC[NH+](CC(=O)N(C)c2ccccc2C(=O)OC)CC1 ZINC000747966177 1203025054 /nfs/dbraw/zinc/02/50/54/1203025054.db2.gz QMNCBEQUZFVLRS-UHFFFAOYSA-N 1 1 371.437 0.897 20 30 FCEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000815009253 1203029128 /nfs/dbraw/zinc/02/91/28/1203029128.db2.gz CDUXNVKUWUWBBW-UHFFFAOYSA-N 1 1 356.470 0.999 20 30 FCEDMO C#CCNC(=O)CC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000815070627 1203030009 /nfs/dbraw/zinc/03/00/09/1203030009.db2.gz VYAWIIGCOPYUEB-UHFFFAOYSA-N 1 1 368.481 0.723 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001135147518 1203048215 /nfs/dbraw/zinc/04/82/15/1203048215.db2.gz KMFOSKYCSUTFNY-FZMZJTMJSA-N 1 1 360.418 0.256 20 30 FCEDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000817450941 1203106693 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COCc1cccc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)c1 ZINC001101291829 1220272168 /nfs/dbraw/zinc/27/21/68/1220272168.db2.gz GFXFSZACFDYSJK-XLIONFOSSA-N 1 1 370.453 0.867 20 30 FCEDMO C[C@]12CN(C(=O)CCc3cccnc3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101291926 1220272381 /nfs/dbraw/zinc/27/23/81/1220272381.db2.gz HLFLIRUYGFTTDS-APWZRJJASA-N 1 1 355.442 0.434 20 30 FCEDMO C[C@]12CN(C(=O)CCc3cccnc3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101291926 1220272384 /nfs/dbraw/zinc/27/23/84/1220272384.db2.gz HLFLIRUYGFTTDS-APWZRJJASA-N 1 1 355.442 0.434 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(OC)nc3)C[C@]2(C)C1 ZINC001101294393 1220273147 /nfs/dbraw/zinc/27/31/47/1220273147.db2.gz HLTFRSRUUZQEDX-BEFAXECRSA-N 1 1 358.442 0.786 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ncc(OC)cn3)C[C@]2(C)C1 ZINC001101294853 1220273936 /nfs/dbraw/zinc/27/39/36/1220273936.db2.gz AWDGCGQBKJLHNH-ACJLOTCBSA-N 1 1 359.430 0.181 20 30 FCEDMO COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CCOC)n3)C[C@]2(C)C1 ZINC001101295197 1220274027 /nfs/dbraw/zinc/27/40/27/1220274027.db2.gz KHNHVJCDOAYVOC-APWZRJJASA-N 1 1 360.458 0.573 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3cncnc3)C[C@]2(C)C1 ZINC001101299000 1220275870 /nfs/dbraw/zinc/27/58/70/1220275870.db2.gz BWZJBKOSOFNRIR-APWZRJJASA-N 1 1 357.458 0.492 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(OC)ccn3)C[C@]2(C)C1 ZINC001101319371 1220287400 /nfs/dbraw/zinc/28/74/00/1220287400.db2.gz VTZVOGBBRZVTJW-KUHUBIRLSA-N 1 1 358.442 0.786 20 30 FCEDMO C#CCCCCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(=O)NC)C[C@@]2(C)C1 ZINC001101325041 1220289142 /nfs/dbraw/zinc/28/91/42/1220289142.db2.gz CTKLOMPGYDLCKH-BEFAXECRSA-N 1 1 362.474 0.806 20 30 FCEDMO C[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)c1cncnc1 ZINC001101339737 1220292927 /nfs/dbraw/zinc/29/29/27/1220292927.db2.gz DCVCLJFCTUPDDJ-SIIHOXLZSA-N 1 1 356.430 0.000 20 30 FCEDMO C[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)c1cncnc1 ZINC001101339737 1220292932 /nfs/dbraw/zinc/29/29/32/1220292932.db2.gz DCVCLJFCTUPDDJ-SIIHOXLZSA-N 1 1 356.430 0.000 20 30 FCEDMO C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339723 1220293044 /nfs/dbraw/zinc/29/30/44/1220293044.db2.gz CKKIGYMRTKUYLZ-LJCCNALRSA-N 1 1 360.502 0.246 20 30 FCEDMO C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339723 1220293049 /nfs/dbraw/zinc/29/30/49/1220293049.db2.gz CKKIGYMRTKUYLZ-LJCCNALRSA-N 1 1 360.502 0.246 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4cnn(C)c4C3)C[C@]2(C)C1 ZINC001101340390 1220293860 /nfs/dbraw/zinc/29/38/60/1220293860.db2.gz LESZXIHEVIGYMH-CDXJDZJCSA-N 1 1 370.497 0.955 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cnc(C)n3C)C[C@]2(C)C1 ZINC001101340223 1220294461 /nfs/dbraw/zinc/29/44/61/1220294461.db2.gz BBULNVKMCWXPJM-OHNRDTAOSA-N 1 1 359.474 0.813 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccn(C)c3C)C[C@]2(C)C1 ZINC001101356216 1220298685 /nfs/dbraw/zinc/29/86/85/1220298685.db2.gz KWUUWVNRVZFXRW-QINHECLXSA-N 1 1 356.470 0.865 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4nc[nH]c43)C[C@]2(C)C1 ZINC001101360968 1220301839 /nfs/dbraw/zinc/30/18/39/1220301839.db2.gz RGGZJKGTMMYBSS-SXGZJXTBSA-N 1 1 369.469 0.359 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4nc[nH]c43)C[C@]2(C)C1 ZINC001101361047 1220302041 /nfs/dbraw/zinc/30/20/41/1220302041.db2.gz VWIOPUJJCQXWAT-SIFCLUCFSA-N 1 1 371.485 0.912 20 30 FCEDMO C[C@]12CN(C(=O)[C@@H]3Cc4ccncc4C3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101364307 1220303020 /nfs/dbraw/zinc/30/30/20/1220303020.db2.gz RBNIQSCRJGKUTM-MDYRTPRTSA-N 1 1 367.453 0.216 20 30 FCEDMO C[C@]12CN(C(=O)[C@@H]3Cc4ccncc4C3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101364307 1220303023 /nfs/dbraw/zinc/30/30/23/1220303023.db2.gz RBNIQSCRJGKUTM-MDYRTPRTSA-N 1 1 367.453 0.216 20 30 FCEDMO C[C@]12CN(C(=O)c3ocnc3C(F)F)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101366031 1220304342 /nfs/dbraw/zinc/30/43/42/1220304342.db2.gz XNMKZAPRAKPBTN-HWPZZCPQSA-N 1 1 367.356 0.646 20 30 FCEDMO C[C@]12CN(C(=O)c3ocnc3C(F)F)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101366031 1220304345 /nfs/dbraw/zinc/30/43/45/1220304345.db2.gz XNMKZAPRAKPBTN-HWPZZCPQSA-N 1 1 367.356 0.646 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(N(C)C)c3)C[C@]2(C)C1 ZINC001101378926 1220309412 /nfs/dbraw/zinc/30/94/12/1220309412.db2.gz NAPLBAFYLHXIPZ-UZLBHIALSA-N 1 1 371.485 0.844 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CCC)c3)C[C@]2(C)C1 ZINC001101377573 1220309470 /nfs/dbraw/zinc/30/94/70/1220309470.db2.gz ARYRHAPASNVOKO-MDYRTPRTSA-N 1 1 371.485 0.825 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3nccc3C)C[C@]2(C)C1 ZINC001101378218 1220309844 /nfs/dbraw/zinc/30/98/44/1220309844.db2.gz SYMWRSGTDJCITE-MDZRGWNJSA-N 1 1 357.458 0.110 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)c3ccn(C(C)C)n3)C[C@]2(C)C1 ZINC001101378906 1220309870 /nfs/dbraw/zinc/30/98/70/1220309870.db2.gz LTDGLZVXTYVHPT-YRNRMSPPSA-N 1 1 371.485 0.996 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)c3c(C)nn(C)c3OC)C[C@]2(C)C1 ZINC001101378875 1220310055 /nfs/dbraw/zinc/31/00/55/1220310055.db2.gz KUOAKARDDWTNGW-BEFAXECRSA-N 1 1 360.458 0.781 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(C4CC4)n3)C[C@]2(C)C1 ZINC001101380500 1220311146 /nfs/dbraw/zinc/31/11/46/1220311146.db2.gz VUSPPEBFUKCKHM-QRWLVFNGSA-N 1 1 367.453 0.497 20 30 FCEDMO C[C@]12CN(C(=O)CCC3CCOCC3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101381613 1220312067 /nfs/dbraw/zinc/31/20/67/1220312067.db2.gz YILNIJQYFPQGAG-APWZRJJASA-N 1 1 362.474 0.613 20 30 FCEDMO C[C@]12CN(C(=O)CCC3CCOCC3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101381613 1220312068 /nfs/dbraw/zinc/31/20/68/1220312068.db2.gz YILNIJQYFPQGAG-APWZRJJASA-N 1 1 362.474 0.613 20 30 FCEDMO Cc1cc(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)nc(C)n1 ZINC001101390685 1220317910 /nfs/dbraw/zinc/31/79/10/1220317910.db2.gz JBXZPWAETYRWBQ-KDOFPFPSSA-N 1 1 356.430 0.127 20 30 FCEDMO Cc1cc(C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)nc(C)n1 ZINC001101390685 1220317916 /nfs/dbraw/zinc/31/79/16/1220317916.db2.gz JBXZPWAETYRWBQ-KDOFPFPSSA-N 1 1 356.430 0.127 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)COc3cccnc3)C[C@]2(C)C1 ZINC001101392848 1220319192 /nfs/dbraw/zinc/31/91/92/1220319192.db2.gz IBBPBTQTJXGFLQ-YRNRMSPPSA-N 1 1 370.453 0.379 20 30 FCEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@]2(C)C1 ZINC001101394047 1220320698 /nfs/dbraw/zinc/32/06/98/1220320698.db2.gz RGQHPYHLSAGLIF-YRNRMSPPSA-N 1 1 361.486 0.721 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4nc[nH]c43)C[C@]2(C)C1 ZINC001101400962 1220324061 /nfs/dbraw/zinc/32/40/61/1220324061.db2.gz ADMVBXOHJFIPQU-VLIAUNLRSA-N 1 1 365.437 0.706 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(CC)nn3C)C[C@]2(C)C1 ZINC001101402284 1220324210 /nfs/dbraw/zinc/32/42/10/1220324210.db2.gz ARMLQSVHFUHJGN-KUHUBIRLSA-N 1 1 357.458 0.126 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3cccc3)C[C@]2(C)C1 ZINC001101404693 1220326480 /nfs/dbraw/zinc/32/64/80/1220326480.db2.gz MAUGPJQIQJXRKJ-HLIPFELVSA-N 1 1 356.470 0.796 20 30 FCEDMO C[C@]12CN(C(=O)CC[C@H]3CCCOC3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101410568 1220329250 /nfs/dbraw/zinc/32/92/50/1220329250.db2.gz DDNGZLIKIVSMLC-MDZRGWNJSA-N 1 1 362.474 0.613 20 30 FCEDMO C[C@]12CN(C(=O)CC[C@H]3CCCOC3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101410568 1220329253 /nfs/dbraw/zinc/32/92/53/1220329253.db2.gz DDNGZLIKIVSMLC-MDZRGWNJSA-N 1 1 362.474 0.613 20 30 FCEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)C[C@]2(C)C1 ZINC001101415447 1220330940 /nfs/dbraw/zinc/33/09/40/1220330940.db2.gz MMGARHAWLBUJHF-KUHUBIRLSA-N 1 1 358.442 0.379 20 30 FCEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(C)cc3=O)C[C@]2(C)C1 ZINC001101415447 1220330942 /nfs/dbraw/zinc/33/09/42/1220330942.db2.gz MMGARHAWLBUJHF-KUHUBIRLSA-N 1 1 358.442 0.379 20 30 FCEDMO C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)n1cccn1 ZINC001101420116 1220334412 /nfs/dbraw/zinc/33/44/12/1220334412.db2.gz BJCQTIXWBPRRSI-DAYGRLMNSA-N 1 1 358.446 0.254 20 30 FCEDMO C[C@@H](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)n1cccn1 ZINC001101420116 1220334417 /nfs/dbraw/zinc/33/44/17/1220334417.db2.gz BJCQTIXWBPRRSI-DAYGRLMNSA-N 1 1 358.446 0.254 20 30 FCEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCCC(N)=O)C[C@]2(C)C1 ZINC001101424487 1220336185 /nfs/dbraw/zinc/33/61/85/1220336185.db2.gz SFNXAQLMANYVSO-KHYOSLBOSA-N 1 1 364.490 0.503 20 30 FCEDMO COCC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccnc4nc(C)nn43)C[C@]2(C)C1 ZINC001101428967 1220338316 /nfs/dbraw/zinc/33/83/16/1220338316.db2.gz VMVXQHYSAATNLM-BEFAXECRSA-N 1 1 368.441 0.476 20 30 FCEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C[C@]2(C)C1 ZINC001101428990 1220338382 /nfs/dbraw/zinc/33/83/82/1220338382.db2.gz WNDZESROGYVPFE-KKVAFCGZSA-N 1 1 369.469 0.044 20 30 FCEDMO 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FCEDMO CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C(F)(F)F ZINC001112099684 846378005 /nfs/dbraw/zinc/37/80/05/846378005.db2.gz FTWTYTHKXBHEMG-GHMZBOCLSA-N 1 1 362.352 0.080 20 30 FCEDMO CC(C)C#CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001112098031 846378167 /nfs/dbraw/zinc/37/81/67/846378167.db2.gz PLQLUBZDASRGGI-GMTAPVOTSA-N 1 1 362.352 0.208 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001112101008 846381455 /nfs/dbraw/zinc/38/14/55/846381455.db2.gz TXCJFGRQQUROLX-YNEHKIRRSA-N 1 1 363.380 0.530 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1C(F)(F)F ZINC001112104609 846383460 /nfs/dbraw/zinc/38/34/60/846383460.db2.gz SDOYKYGLFULALO-YFCNSXCBSA-N 1 1 361.364 0.304 20 30 FCEDMO COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103727 846383956 /nfs/dbraw/zinc/38/39/56/846383956.db2.gz XSIMTAZREOZRCN-KBUPBQIOSA-N 1 1 361.408 0.955 20 30 FCEDMO COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103727 846383966 /nfs/dbraw/zinc/38/39/66/846383966.db2.gz XSIMTAZREOZRCN-KBUPBQIOSA-N 1 1 361.408 0.955 20 30 FCEDMO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC001112113095 846392534 /nfs/dbraw/zinc/39/25/34/846392534.db2.gz CYBDGHAQAXKJRY-UPJWGTAASA-N 1 1 366.405 0.956 20 30 FCEDMO COCC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112132312 846408699 /nfs/dbraw/zinc/40/86/99/846408699.db2.gz IFEYOLVCOKAISQ-GHMZBOCLSA-N 1 1 364.368 0.278 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C(F)(F)F ZINC001112141004 846412855 /nfs/dbraw/zinc/41/28/55/846412855.db2.gz CZCLWJJHNRQAJQ-VXGBXAGGSA-N 1 1 357.336 0.060 20 30 FCEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCF)C[C@H]1C(F)(F)F ZINC001112145873 846417283 /nfs/dbraw/zinc/41/72/83/846417283.db2.gz KNABSRMNIDJNCK-IJLUTSLNSA-N 1 1 351.344 0.853 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1C(F)(F)F ZINC001112146835 846418894 /nfs/dbraw/zinc/41/88/94/846418894.db2.gz QJVBLEWTYPXYCD-VXGBXAGGSA-N 1 1 357.332 0.930 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@H]1C(F)(F)F ZINC001112158120 846424626 /nfs/dbraw/zinc/42/46/26/846424626.db2.gz UMIHPTCTJAODFS-VXGBXAGGSA-N 1 1 360.336 0.878 20 30 FCEDMO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112167827 846431064 /nfs/dbraw/zinc/43/10/64/846431064.db2.gz HJJURJTYMRGFBJ-UZWSLXQKSA-N 1 1 362.352 0.030 20 30 FCEDMO COC[C@@H](C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001112186834 846446081 /nfs/dbraw/zinc/44/60/81/846446081.db2.gz ILPSQBHCBZYTRN-QJPTWQEYSA-N 1 1 364.368 0.278 20 30 FCEDMO C#Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CC(=O)NC)C2)cn1 ZINC001112194951 846454165 /nfs/dbraw/zinc/45/41/65/846454165.db2.gz AAMVLNFBYVPWTF-CHWSQXEVSA-N 1 1 354.332 0.401 20 30 FCEDMO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198253 846456185 /nfs/dbraw/zinc/45/61/85/846456185.db2.gz KQDZVTNXTXPYDH-CHWSQXEVSA-N 1 1 364.412 0.609 20 30 FCEDMO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCOC)C[C@H]1C(F)(F)F ZINC001112209819 846466024 /nfs/dbraw/zinc/46/60/24/846466024.db2.gz JMWDSEXPINDOPP-YNEHKIRRSA-N 1 1 365.396 0.940 20 30 FCEDMO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)OCC=C)C[C@H]1C(F)(F)F ZINC001112215364 846471173 /nfs/dbraw/zinc/47/11/73/846471173.db2.gz BKHNKILKFFTXRS-YNEHKIRRSA-N 1 1 361.364 0.306 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001114954751 846556440 /nfs/dbraw/zinc/55/64/40/846556440.db2.gz WATDUIXVHPVNFU-SIRPWMCASA-N 1 1 370.515 0.839 20 30 FCEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCS(=O)(=O)CC)C[C@H]21 ZINC001114954751 846556447 /nfs/dbraw/zinc/55/64/47/846556447.db2.gz WATDUIXVHPVNFU-SIRPWMCASA-N 1 1 370.515 0.839 20 30 FCEDMO C#CCSCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001117461356 847030305 /nfs/dbraw/zinc/03/03/05/847030305.db2.gz GADREMHKNVKZBH-CQSZACIVSA-N 1 1 353.488 0.181 20 30 FCEDMO CC#CCN(C)C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001117908952 847209583 /nfs/dbraw/zinc/20/95/83/847209583.db2.gz AAHIQVIEPHJDDB-UHFFFAOYSA-N 1 1 363.380 0.581 20 30 FCEDMO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2)CC[N@H+](C)C1 ZINC001117961842 847231867 /nfs/dbraw/zinc/23/18/67/847231867.db2.gz ZOEUCLKZSSOHCE-AWEZNQCLSA-N 1 1 351.428 0.478 20 30 FCEDMO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2)CC[N@@H+](C)C1 ZINC001117961842 847231874 /nfs/dbraw/zinc/23/18/74/847231874.db2.gz ZOEUCLKZSSOHCE-AWEZNQCLSA-N 1 1 351.428 0.478 20 30 FCEDMO C=CCN(C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H](C)COC ZINC001118634550 847509016 /nfs/dbraw/zinc/50/90/16/847509016.db2.gz CXZWSGGYROIRSN-CVEARBPZSA-N 1 1 355.479 0.653 20 30 FCEDMO C#CCSCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC001119417199 847837971 /nfs/dbraw/zinc/83/79/71/847837971.db2.gz MKTWBPCHXUIVJM-INIZCTEOSA-N 1 1 361.467 0.651 20 30 FCEDMO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC001119442611 847845689 /nfs/dbraw/zinc/84/56/89/847845689.db2.gz CIRRBOSJZMVFBP-HNNXBMFYSA-N 1 1 368.503 0.294 20 30 FCEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)C1 ZINC001119442611 847845696 /nfs/dbraw/zinc/84/56/96/847845696.db2.gz CIRRBOSJZMVFBP-HNNXBMFYSA-N 1 1 368.503 0.294 20 30 FCEDMO CCC[C@H]1CN(c2nnc(C[C@H](O)CC#N)n2C)CC[N@H+]1CCOC ZINC001121487176 848362391 /nfs/dbraw/zinc/36/23/91/848362391.db2.gz FIIZJQUQGKDGCB-LSDHHAIUSA-N 1 1 350.467 0.569 20 30 FCEDMO CCn1c(C[C@H](O)CC#N)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001121764061 848389795 /nfs/dbraw/zinc/38/97/95/848389795.db2.gz XBUZDOWDGAOMFB-QLFBSQMISA-N 1 1 350.467 0.660 20 30 FCEDMO CCn1c(C[C@H](O)CC#N)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001121764061 848389804 /nfs/dbraw/zinc/38/98/04/848389804.db2.gz XBUZDOWDGAOMFB-QLFBSQMISA-N 1 1 350.467 0.660 20 30 FCEDMO C=C(C)Cn1c([C@H](O)COC)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122389401 848501933 /nfs/dbraw/zinc/50/19/33/848501933.db2.gz ZLZYBSXEIASKGJ-HUUCEWRRSA-N 1 1 351.451 0.445 20 30 FCEDMO C=C(C)Cn1c([C@H](O)COC)nnc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122389402 848502310 /nfs/dbraw/zinc/50/23/10/848502310.db2.gz ZLZYBSXEIASKGJ-LSDHHAIUSA-N 1 1 351.451 0.445 20 30 FCEDMO C=C(C)Cn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001122591562 848523465 /nfs/dbraw/zinc/52/34/65/848523465.db2.gz NBWFQGJZAIDKOE-CHWSQXEVSA-N 1 1 351.407 0.191 20 30 FCEDMO C[C@@H]1[C@H](C(=O)NC[C@H](CO)Nc2nc(C#N)c(Cl)s2)CC[N@H+]1C ZINC001122753578 848536761 /nfs/dbraw/zinc/53/67/61/848536761.db2.gz ZLWOBLBAKPJQGR-OPRDCNLKSA-N 1 1 357.867 0.897 20 30 FCEDMO N#CCSCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001128724149 848760161 /nfs/dbraw/zinc/76/01/61/848760161.db2.gz RYDUBFPXOIVVMI-OLZOCXBDSA-N 1 1 370.429 0.922 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001128903371 848784277 /nfs/dbraw/zinc/78/42/77/848784277.db2.gz NRJZTPSCVJYYJT-XHSDSOJGSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@@H]1n1ccnn1 ZINC001128929156 848787442 /nfs/dbraw/zinc/78/74/42/848787442.db2.gz DPMNMISNNNYUOY-VYDXJSESSA-N 1 1 351.451 0.373 20 30 FCEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001129054303 848801122 /nfs/dbraw/zinc/80/11/22/848801122.db2.gz BHIDUSORYUWDHU-KGLIPLIRSA-N 1 1 362.459 0.428 20 30 FCEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001129054303 848801123 /nfs/dbraw/zinc/80/11/23/848801123.db2.gz BHIDUSORYUWDHU-KGLIPLIRSA-N 1 1 362.459 0.428 20 30 FCEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC)OC)[C@@H](n2ccnn2)C1 ZINC001129144625 848811481 /nfs/dbraw/zinc/81/14/81/848811481.db2.gz PJYYWWKDGBRLPK-OWCLPIDISA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)OC)[C@@H](n2ccnn2)C1 ZINC001129144625 848811494 /nfs/dbraw/zinc/81/14/94/848811494.db2.gz PJYYWWKDGBRLPK-OWCLPIDISA-N 1 1 351.451 0.637 20 30 FCEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)COCCCOC)[C@@H](n2ccnn2)C1 ZINC001129385772 848837879 /nfs/dbraw/zinc/83/78/79/848837879.db2.gz SAVXLQCGCYPTQW-CVEARBPZSA-N 1 1 351.451 0.639 20 30 FCEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCCOCC)[C@@H](n2ccnn2)C1 ZINC001129471104 848848896 /nfs/dbraw/zinc/84/88/96/848848896.db2.gz UCRMSLMDMJKLBQ-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCCOCC)[C@@H](n2ccnn2)C1 ZINC001129471104 848848900 /nfs/dbraw/zinc/84/89/00/848848900.db2.gz UCRMSLMDMJKLBQ-OAGGEKHMSA-N 1 1 351.451 0.637 20 30 FCEDMO C=C(Br)C[NH2+][C@@H]1CN(C(=O)CCOC)C[C@@H]1n1ccnn1 ZINC001129506598 848855379 /nfs/dbraw/zinc/85/53/79/848855379.db2.gz KRJDCSPTSWFDMG-NEPJUHHUSA-N 1 1 358.240 0.565 20 30 FCEDMO Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)C#CC(C)C)C[C@@H]1n1ccnn1 ZINC001129822535 848900398 /nfs/dbraw/zinc/90/03/98/848900398.db2.gz WENBEVQUCZETOC-KGLIPLIRSA-N 1 1 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20 30 FCEDMO COc1ccc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)nn1 ZINC001129824939 1201402207 /nfs/dbraw/zinc/40/22/07/1201402207.db2.gz HJLXBHZSCCJBDD-CVEARBPZSA-N 1 1 369.429 0.278 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001129829769 1201403106 /nfs/dbraw/zinc/40/31/06/1201403106.db2.gz ODEJLOWAOPOXPT-QGTPRVQTSA-N 1 1 371.416 0.997 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H]([NH2+]Cc2cc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129830268 1201403405 /nfs/dbraw/zinc/40/34/05/1201403405.db2.gz ZNTRRNKCCUADGM-IMJJTQAJSA-N 1 1 358.402 0.155 20 30 FCEDMO C#CCOCCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cnccn2)[C@@H](n2ccnn2)C1 ZINC001129837635 1201410417 /nfs/dbraw/zinc/41/04/17/1201410417.db2.gz HZITWGATWJCVKX-UAGQMJEPSA-N 1 1 369.429 0.211 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896034 1201430054 /nfs/dbraw/zinc/43/00/54/1201430054.db2.gz OKGNZGIXWZBTOS-KURKYZTESA-N 1 1 358.490 0.621 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896034 1201430057 /nfs/dbraw/zinc/43/00/57/1201430057.db2.gz OKGNZGIXWZBTOS-KURKYZTESA-N 1 1 358.490 0.621 20 30 FCEDMO CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)[C@@H](O)C1 ZINC001219897095 1224674459 /nfs/dbraw/zinc/67/44/59/1224674459.db2.gz XDWDVUPTZPXQTO-KFWWJZLASA-N 1 1 365.478 0.678 20 30 FCEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001086627347 1201461989 /nfs/dbraw/zinc/46/19/89/1201461989.db2.gz DOCUKTYKMYXUJT-YESZJQIVSA-N 1 1 353.422 0.647 20 30 FCEDMO C[NH+](C)CCC(=O)N1C[C@@H](NCc2cccc(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001129991907 1201470537 /nfs/dbraw/zinc/47/05/37/1201470537.db2.gz CCTYLALSEZIWNP-MSOLQXFVSA-N 1 1 367.457 0.643 20 30 FCEDMO CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1n1ccnn1 ZINC001130083922 1201493522 /nfs/dbraw/zinc/49/35/22/1201493522.db2.gz QHUUZJGRUVMSPM-CABCVRRESA-N 1 1 360.466 0.951 20 30 FCEDMO CC#CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140368 1201516120 /nfs/dbraw/zinc/51/61/20/1201516120.db2.gz XBZBOBMKUBEBHH-FGTMMUONSA-N 1 1 358.490 0.763 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCCC=C)[nH]1 ZINC001130190589 1201528827 /nfs/dbraw/zinc/52/88/27/1201528827.db2.gz GZGLISVCARXXNC-ILXRZTDVSA-N 1 1 361.446 0.497 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(C)nn2C)n1 ZINC001130188015 1201529318 /nfs/dbraw/zinc/52/93/18/1201529318.db2.gz UWCSIXWSUBENRJ-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(C)nn2C)n[nH]1 ZINC001130188015 1201529320 /nfs/dbraw/zinc/52/93/20/1201529320.db2.gz UWCSIXWSUBENRJ-ZFWWWQNUSA-N 1 1 371.445 0.262 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2C)[nH]1 ZINC001130190908 1201530367 /nfs/dbraw/zinc/53/03/67/1201530367.db2.gz TZNZPTHXTLWLHW-STQMWFEESA-N 1 1 358.402 0.517 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n1 ZINC001130195964 1201532924 /nfs/dbraw/zinc/53/29/24/1201532924.db2.gz LEGOXKJYBBAFPS-CEEVZKBLSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)n[nH]1 ZINC001130195964 1201532927 /nfs/dbraw/zinc/53/29/27/1201532927.db2.gz LEGOXKJYBBAFPS-CEEVZKBLSA-N 1 1 357.458 0.952 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC(C)=O)n1 ZINC001130182773 1201534834 /nfs/dbraw/zinc/53/48/34/1201534834.db2.gz AZHWYZAUNUFUGV-GJZGRUSLSA-N 1 1 361.446 0.666 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC(C)=O)n[nH]1 ZINC001130182773 1201534838 /nfs/dbraw/zinc/53/48/38/1201534838.db2.gz AZHWYZAUNUFUGV-GJZGRUSLSA-N 1 1 361.446 0.666 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cnn(C)c2)n1 ZINC001130182898 1201535803 /nfs/dbraw/zinc/53/58/03/1201535803.db2.gz GSXUGHIUOOSDJU-KBPBESRZSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnn(C)c2)n[nH]1 ZINC001130182898 1201535806 /nfs/dbraw/zinc/53/58/06/1201535806.db2.gz GSXUGHIUOOSDJU-KBPBESRZSA-N 1 1 359.434 0.506 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@](C)(O)C2CC2)n1 ZINC001130203315 1201539215 /nfs/dbraw/zinc/53/92/15/1201539215.db2.gz YHFUCBIEBAHESD-DEYYWGMASA-N 1 1 363.462 0.620 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@](C)(O)C2CC2)n[nH]1 ZINC001130203315 1201539218 /nfs/dbraw/zinc/53/92/18/1201539218.db2.gz YHFUCBIEBAHESD-DEYYWGMASA-N 1 1 363.462 0.620 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@@H](C)OC)n1 ZINC001130205033 1201540599 /nfs/dbraw/zinc/54/05/99/1201540599.db2.gz QIJQPBZAJLPYPN-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@@H](C)OC)n[nH]1 ZINC001130205033 1201540602 /nfs/dbraw/zinc/54/06/02/1201540602.db2.gz QIJQPBZAJLPYPN-ILXRZTDVSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[C@H](C)OC)n1 ZINC001130205035 1201541084 /nfs/dbraw/zinc/54/10/84/1201541084.db2.gz QIJQPBZAJLPYPN-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[C@H](C)OC)n[nH]1 ZINC001130205035 1201541085 /nfs/dbraw/zinc/54/10/85/1201541085.db2.gz QIJQPBZAJLPYPN-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2CC)[nH]1 ZINC001130207709 1201541660 /nfs/dbraw/zinc/54/16/60/1201541660.db2.gz MYFHGTAACROFTN-ZFWWWQNUSA-N 1 1 356.430 0.721 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc[nH]c2CC)n[nH]1 ZINC001130207709 1201541661 /nfs/dbraw/zinc/54/16/61/1201541661.db2.gz MYFHGTAACROFTN-ZFWWWQNUSA-N 1 1 356.430 0.721 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@](C)(O)C=C)n1 ZINC001130210121 1201544325 /nfs/dbraw/zinc/54/43/25/1201544325.db2.gz XNIAANICFPEWOV-SUNYJGFJSA-N 1 1 363.462 0.786 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@](C)(O)C=C)n[nH]1 ZINC001130210121 1201544331 /nfs/dbraw/zinc/54/43/31/1201544331.db2.gz XNIAANICFPEWOV-SUNYJGFJSA-N 1 1 363.462 0.786 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n[nH]1 ZINC001130210046 1201544411 /nfs/dbraw/zinc/54/44/11/1201544411.db2.gz SQRRAXYQXJQSDX-SUNYJGFJSA-N 1 1 363.462 0.786 20 30 FCEDMO C=C[C@@](C)(O)CC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC(=C)C)n1 ZINC001130210046 1201544415 /nfs/dbraw/zinc/54/44/15/1201544415.db2.gz SQRRAXYQXJQSDX-SUNYJGFJSA-N 1 1 363.462 0.786 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccnn2C)[nH]1 ZINC001130212998 1201544664 /nfs/dbraw/zinc/54/46/64/1201544664.db2.gz OFURJKZXWGVGDB-IPYPFGDCSA-N 1 1 371.445 0.053 20 30 FCEDMO COCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C#CC2CC2)n1 ZINC001130212766 1201545295 /nfs/dbraw/zinc/54/52/95/1201545295.db2.gz CCHWRXCXCFCNHG-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO COCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C#CC2CC2)n[nH]1 ZINC001130212766 1201545297 /nfs/dbraw/zinc/54/52/97/1201545297.db2.gz CCHWRXCXCFCNHG-GJZGRUSLSA-N 1 1 361.446 0.333 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCCO2)[nH]1 ZINC001130200688 1201548410 /nfs/dbraw/zinc/54/84/10/1201548410.db2.gz RXYHSPXPKWCPRK-KKUMJFAQSA-N 1 1 361.446 0.475 20 30 FCEDMO C=CCOCC(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n[nH]1 ZINC001130203025 1201549692 /nfs/dbraw/zinc/54/96/92/1201549692.db2.gz PXJXYSDOOKEJFX-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCOCC(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC[C@H](C)F)n1 ZINC001130203025 1201549694 /nfs/dbraw/zinc/54/96/94/1201549694.db2.gz PXJXYSDOOKEJFX-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]nc2CC)n1 ZINC001130220734 1201550342 /nfs/dbraw/zinc/55/03/42/1201550342.db2.gz KDKQSCFEAITPCV-FZMZJTMJSA-N 1 1 359.434 0.668 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]nc2CC)n[nH]1 ZINC001130220734 1201550347 /nfs/dbraw/zinc/55/03/47/1201550347.db2.gz KDKQSCFEAITPCV-FZMZJTMJSA-N 1 1 359.434 0.668 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2c[nH]nc2CC)n1 ZINC001130221151 1201550755 /nfs/dbraw/zinc/55/07/55/1201550755.db2.gz WZMXZXADTCXHCX-WFASDCNBSA-N 1 1 371.445 0.506 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2c[nH]nc2CC)n[nH]1 ZINC001130221151 1201550757 /nfs/dbraw/zinc/55/07/57/1201550757.db2.gz WZMXZXADTCXHCX-WFASDCNBSA-N 1 1 371.445 0.506 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2CC)[nH]1 ZINC001130220881 1201551439 /nfs/dbraw/zinc/55/14/39/1201551439.db2.gz PQEZMSADALJHAB-WFASDCNBSA-N 1 1 371.445 0.506 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001130222852 1201551825 /nfs/dbraw/zinc/55/18/25/1201551825.db2.gz HFZSPSAOHKBNIZ-XSOIWRAYSA-N 1 1 373.457 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001130222852 1201551830 /nfs/dbraw/zinc/55/18/30/1201551830.db2.gz HFZSPSAOHKBNIZ-XSOIWRAYSA-N 1 1 373.457 0.492 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2ccon2)n1 ZINC001130222949 1201552613 /nfs/dbraw/zinc/55/26/13/1201552613.db2.gz JHMZKBLTEMDLNJ-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2ccon2)n[nH]1 ZINC001130222949 1201552616 /nfs/dbraw/zinc/55/26/16/1201552616.db2.gz JHMZKBLTEMDLNJ-KBPBESRZSA-N 1 1 360.418 0.690 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cc(F)c[nH]2)n1 ZINC001130224881 1201553673 /nfs/dbraw/zinc/55/36/73/1201553673.db2.gz HHBOHXIZMNVJKV-JSGCOSHPSA-N 1 1 360.393 0.687 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cc(F)c[nH]2)n[nH]1 ZINC001130224881 1201553676 /nfs/dbraw/zinc/55/36/76/1201553676.db2.gz HHBOHXIZMNVJKV-JSGCOSHPSA-N 1 1 360.393 0.687 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H](CCC)OC)n1 ZINC001130227702 1201555510 /nfs/dbraw/zinc/55/55/10/1201555510.db2.gz KRVAMIDYILOGNM-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CCC)OC)n[nH]1 ZINC001130227702 1201555513 /nfs/dbraw/zinc/55/55/13/1201555513.db2.gz KRVAMIDYILOGNM-KKUMJFAQSA-N 1 1 363.462 0.721 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2[nH]c(C)nc2C)n1 ZINC001130237881 1201560456 /nfs/dbraw/zinc/56/04/56/1201560456.db2.gz HZIKOVKMRXVCBP-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2[nH]c(C)nc2C)n[nH]1 ZINC001130237881 1201560459 /nfs/dbraw/zinc/56/04/59/1201560459.db2.gz HZIKOVKMRXVCBP-KBPBESRZSA-N 1 1 371.445 0.560 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1 ZINC001130242056 1201561170 /nfs/dbraw/zinc/56/11/70/1201561170.db2.gz CGQVBYYMXPAKIL-JONQDZQNSA-N 1 1 357.458 0.952 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccnnc2)n1 ZINC001130240464 1201562033 /nfs/dbraw/zinc/56/20/33/1201562033.db2.gz PTOVVJFBXJFZPM-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccnnc2)n[nH]1 ZINC001130240464 1201562038 /nfs/dbraw/zinc/56/20/38/1201562038.db2.gz PTOVVJFBXJFZPM-GJZGRUSLSA-N 1 1 371.445 0.953 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCc2cn[nH]c2)n1 ZINC001130242119 1201562555 /nfs/dbraw/zinc/56/25/55/1201562555.db2.gz GMWPYKUBWIIYHI-GJZGRUSLSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCc2cn[nH]c2)n[nH]1 ZINC001130242119 1201562560 /nfs/dbraw/zinc/56/25/60/1201562560.db2.gz GMWPYKUBWIIYHI-GJZGRUSLSA-N 1 1 371.445 0.262 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2ccn(CC)n2)n1 ZINC001130242147 1201562891 /nfs/dbraw/zinc/56/28/91/1201562891.db2.gz ILMZIWAQGDFINT-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ccn(CC)n2)n[nH]1 ZINC001130242147 1201562896 /nfs/dbraw/zinc/56/28/96/1201562896.db2.gz ILMZIWAQGDFINT-ZFWWWQNUSA-N 1 1 371.445 0.437 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2cccnn2)n1 ZINC001130242386 1201562962 /nfs/dbraw/zinc/56/29/62/1201562962.db2.gz UTBOPCDSUIIFDL-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cccnn2)n[nH]1 ZINC001130242386 1201562964 /nfs/dbraw/zinc/56/29/64/1201562964.db2.gz UTBOPCDSUIIFDL-ZFWWWQNUSA-N 1 1 371.445 0.953 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nc(C)c[nH]2)n1 ZINC001130242474 1201564226 /nfs/dbraw/zinc/56/42/26/1201564226.db2.gz YXGVFKUVMYPSDP-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nc(C)c[nH]2)n[nH]1 ZINC001130242474 1201564229 /nfs/dbraw/zinc/56/42/29/1201564229.db2.gz YXGVFKUVMYPSDP-STQMWFEESA-N 1 1 359.434 0.804 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccco2)[nH]1 ZINC001130246739 1201566486 /nfs/dbraw/zinc/56/64/86/1201566486.db2.gz OIJXTYRXXFRBGN-GJZGRUSLSA-N 1 1 357.414 0.742 20 30 FCEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOC(C)C)[nH]1 ZINC001130253511 1201569741 /nfs/dbraw/zinc/56/97/41/1201569741.db2.gz ACERVKFFALOPFP-GJZGRUSLSA-N 1 1 363.462 0.721 20 30 FCEDMO C=CCO[C@@H](C)C(=O)NCc1nc([C@H]2CCO[C@H]2C[NH2+]CCCF)n[nH]1 ZINC001130251508 1201569851 /nfs/dbraw/zinc/56/98/51/1201569851.db2.gz YKYFQJRYMZNQPO-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C=CCO[C@@H](C)C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CCCF)n1 ZINC001130251508 1201569855 /nfs/dbraw/zinc/56/98/55/1201569855.db2.gz YKYFQJRYMZNQPO-IHRRRGAJSA-N 1 1 369.441 0.834 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cc2ccc[nH]2)n1 ZINC001130251357 1201570574 /nfs/dbraw/zinc/57/05/74/1201570574.db2.gz PISUKEKEWZBKFV-GJZGRUSLSA-N 1 1 356.430 0.477 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cc2ccc[nH]2)n[nH]1 ZINC001130251357 1201570578 /nfs/dbraw/zinc/57/05/78/1201570578.db2.gz PISUKEKEWZBKFV-GJZGRUSLSA-N 1 1 356.430 0.477 20 30 FCEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC(N)=O)CC1 ZINC001130295479 1201579541 /nfs/dbraw/zinc/57/95/41/1201579541.db2.gz DFHPVORKYAOTPT-JOQOYGCGSA-N 1 1 364.490 0.549 20 30 FCEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)COCc2cccc(OC)c2)[C@@H](O)C1 ZINC001219932323 1224687775 /nfs/dbraw/zinc/68/77/75/1224687775.db2.gz FFCAQWSAWXSMDC-MSOLQXFVSA-N 1 1 364.442 0.576 20 30 FCEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220040736 1224734802 /nfs/dbraw/zinc/73/48/02/1224734802.db2.gz DAIIYBUWZLMAQC-NCOADZHNSA-N 1 1 367.490 0.707 20 30 FCEDMO C=C[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CCCCC(=O)OCC)C2)C1 ZINC001276810161 1224739292 /nfs/dbraw/zinc/73/92/92/1224739292.db2.gz QKSNKESCLUGMQM-LPHOPBHVSA-N 1 1 368.474 0.818 20 30 FCEDMO COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130531923 1202710453 /nfs/dbraw/zinc/71/04/53/1202710453.db2.gz MDTIAJMWXVUSAE-WMLDXEAASA-N 1 1 356.430 0.299 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001130542654 1202714243 /nfs/dbraw/zinc/71/42/43/1202714243.db2.gz DSSFTHMHJWSFPC-DZGCQCFKSA-N 1 1 359.434 0.133 20 30 FCEDMO C=CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130553096 1202714407 /nfs/dbraw/zinc/71/44/07/1202714407.db2.gz SXHRRVXWYOOKMA-DOTOQJQBSA-N 1 1 358.446 0.440 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC001130578441 1202724620 /nfs/dbraw/zinc/72/46/20/1202724620.db2.gz NJYIZMPLICKDBQ-DOTOQJQBSA-N 1 1 355.446 0.436 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001130578588 1202724888 /nfs/dbraw/zinc/72/48/88/1202724888.db2.gz UTUFKXRULSIFIB-FUHWJXTLSA-N 1 1 369.473 0.919 20 30 FCEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)nn1 ZINC001130590313 1202726123 /nfs/dbraw/zinc/72/61/23/1202726123.db2.gz JQYDHJIXDVQMJA-FUHWJXTLSA-N 1 1 369.473 0.775 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@](C)(O)C3CC3)n[nH]2)O1 ZINC001130774957 1202782974 /nfs/dbraw/zinc/78/29/74/1202782974.db2.gz GUOIZAYIFUWJPQ-IYOUNJFTSA-N 1 1 361.446 0.415 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCCO3)n[nH]2)O1 ZINC001130775494 1202783645 /nfs/dbraw/zinc/78/36/45/1202783645.db2.gz YDVMIZJWGYFSPO-RRFJBIMHSA-N 1 1 361.446 0.823 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCCO3)n[nH]2)O1 ZINC001130775495 1202783863 /nfs/dbraw/zinc/78/38/63/1202783863.db2.gz YDVMIZJWGYFSPO-ZNMIVQPWSA-N 1 1 361.446 0.823 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCOC3)n[nH]2)O1 ZINC001130765278 1202784586 /nfs/dbraw/zinc/78/45/86/1202784586.db2.gz KNZVZEDHFCUNGI-QLFBSQMISA-N 1 1 361.446 0.681 20 30 FCEDMO CCOCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)C#N)n[nH]2)O1 ZINC001130769342 1202785975 /nfs/dbraw/zinc/78/59/75/1202785975.db2.gz DJWHGRVZWWJTOZ-HZSPNIEDSA-N 1 1 364.450 0.817 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)cn3)n[nH]2)O1 ZINC001130772209 1202787641 /nfs/dbraw/zinc/78/76/41/1202787641.db2.gz DCFFTKSQINPRJN-GXTWGEPZSA-N 1 1 359.434 0.854 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cc(C)on3)n[nH]2)O1 ZINC001130772707 1202788146 /nfs/dbraw/zinc/78/81/46/1202788146.db2.gz YFPVNSBNIRSJCT-UONOGXRCSA-N 1 1 360.418 0.956 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccncn3)n[nH]2)O1 ZINC001130785502 1202789454 /nfs/dbraw/zinc/78/94/54/1202789454.db2.gz QYUJORNJOQBLMJ-LSDHHAIUSA-N 1 1 371.445 0.839 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3ccnn3)n[nH]2)O1 ZINC001130777255 1202791049 /nfs/dbraw/zinc/79/10/49/1202791049.db2.gz YQORTRBVLUMTOS-QWHCGFSZSA-N 1 1 360.422 0.098 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@](C)(O)C=C)n[nH]2)O1 ZINC001130778282 1202791877 /nfs/dbraw/zinc/79/18/77/1202791877.db2.gz OXQADLXMSCVJDO-IYOUNJFTSA-N 1 1 361.446 0.581 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3CC)n[nH]2)O1 ZINC001130778220 1202792051 /nfs/dbraw/zinc/79/20/51/1202792051.db2.gz LPWNICCDXSQFGF-DZGCQCFKSA-N 1 1 371.445 0.784 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)c3ccnn3C)n[nH]2)O1 ZINC001130783133 1202794485 /nfs/dbraw/zinc/79/44/85/1202794485.db2.gz LNOWZWWBIUXCAS-VNHYZAJKSA-N 1 1 371.445 0.401 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3coc(OC)n3)n[nH]2)O1 ZINC001130794289 1202795121 /nfs/dbraw/zinc/79/51/21/1202795121.db2.gz PZEXGKAIRTZVSD-CMPLNLGQSA-N 1 1 360.374 0.174 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)ncn3C)n[nH]2)O1 ZINC001130787475 1202796990 /nfs/dbraw/zinc/79/69/90/1202796990.db2.gz UDCNGKXOXOLXGI-UONOGXRCSA-N 1 1 371.445 0.610 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nnc(CNC(=O)[C@H]3CCCC[N@@H+]3C)[n-]2)O1 ZINC001130790034 1202797907 /nfs/dbraw/zinc/79/79/07/1202797907.db2.gz DWUHWYPPSPTODD-RRFJBIMHSA-N 1 1 362.478 0.901 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](COC)OC)n[nH]2)O1 ZINC001130805182 1202801222 /nfs/dbraw/zinc/80/12/22/1202801222.db2.gz WWYZYTWBQPVINM-MJBXVCDLSA-N 1 1 367.450 0.468 20 30 FCEDMO C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]3(C)CCC(=O)N3)n[nH]2)O1 ZINC001130802448 1202803697 /nfs/dbraw/zinc/80/36/97/1202803697.db2.gz UXKUGSHOEBPSTA-JKDFXYPNSA-N 1 1 362.434 0.085 20 30 FCEDMO C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3n[nH]cc3F)n[nH]2)O1 ZINC001130802420 1202803970 /nfs/dbraw/zinc/80/39/70/1202803970.db2.gz SZHZEXHQAADKNZ-CMPLNLGQSA-N 1 1 363.397 0.983 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(CC)nc3C)n[nH]2)O1 ZINC001130811732 1202804232 /nfs/dbraw/zinc/80/42/32/1202804232.db2.gz GVUZDMYPRIRGRE-DZGCQCFKSA-N 1 1 371.445 0.702 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3cnccn3)n[nH]2)O1 ZINC001130813052 1202805355 /nfs/dbraw/zinc/80/53/55/1202805355.db2.gz GEWQAWUYWOYEGU-LSDHHAIUSA-N 1 1 369.429 0.287 20 30 FCEDMO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3F)n[nH]2)O1 ZINC001130813154 1202805686 /nfs/dbraw/zinc/80/56/86/1202805686.db2.gz JWXYMXBBKZNMJY-WCQYABFASA-N 1 1 358.377 0.712 20 30 FCEDMO C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncn3C)n[nH]2)O1 ZINC001130816170 1202807067 /nfs/dbraw/zinc/80/70/67/1202807067.db2.gz NISLIVXFTDFYKH-LSDHHAIUSA-N 1 1 371.445 0.230 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]c3)n[nH]2)O1 ZINC001130817216 1202807802 /nfs/dbraw/zinc/80/78/02/1202807802.db2.gz GOVSCXQRVFSTRF-UONOGXRCSA-N 1 1 370.413 0.668 20 30 FCEDMO C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nonc3C)n[nH]2)O1 ZINC001130819696 1202809077 /nfs/dbraw/zinc/80/90/77/1202809077.db2.gz FCSJZYURZVZXRB-NWDGAFQWSA-N 1 1 361.406 0.812 20 30 FCEDMO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]cnc3C)n[nH]2)O1 ZINC001130820568 1202809883 /nfs/dbraw/zinc/80/98/83/1202809883.db2.gz YKUJIHLBBOTBFW-QWHCGFSZSA-N 1 1 357.418 0.599 20 30 FCEDMO C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001130977941 1202836740 /nfs/dbraw/zinc/83/67/40/1202836740.db2.gz IMPPPMCUIFGKNH-HUUCEWRRSA-N 1 1 355.446 0.436 20 30 FCEDMO C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001130988678 1202837188 /nfs/dbraw/zinc/83/71/88/1202837188.db2.gz JIEIUTBAXJLDQX-USXIJHARSA-N 1 1 370.457 0.276 20 30 FCEDMO CCn1cc(C[NH2+][C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)nn1 ZINC001130991727 1202838488 /nfs/dbraw/zinc/83/84/88/1202838488.db2.gz ZVRZXSXHALKQLO-IAGOWNOFSA-N 1 1 369.473 0.775 20 30 FCEDMO Cn1cncc1[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH2+]Cc1ncnn1C ZINC001130986150 1202840091 /nfs/dbraw/zinc/84/00/91/1202840091.db2.gz ZBFGJNQTQAQCLI-HUUCEWRRSA-N 1 1 369.473 0.682 20 30 FCEDMO 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